# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-11T00:43:35+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'IUCrData') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1542452","11.5613","0.0007","16.4245","0.0013","8.873","0.0006","90","","107.768","0.006","90","","1604.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide","","- C16 H21 F N2 O3 S -","- C16 H21 F N2 O3 S -","- C64 H84 F4 N8 O12 S4 -","4","1","HB4006","Efimov, Ilya; Slepukhin, Pavel; Beliaev, Nikolai; Bakulev, Vasiliy","(<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide","IUCrData","2016","1","1","x160013","","10.1107/S2414314616000134","","","0.7107","MoKα","","0.0778","0.0464","","","0.1167","0.1371","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542453","17.743","0.0007","37.3075","0.0019","6.142","0.0002","90","","90","","90","","4065.7","0.3","120","2","119.99","","","","","","","","","4","F d d 2","F 2 -2d","43","","2-(Phenylsulfanyl)aniline","","- C12 H11 N S -","- C12 H11 N S -","- C192 H176 N16 S16 -","16","1","","Mdluli, Velabo; Golen, James A.; Manke, David R.","2-(Phenylsulfanyl)aniline","IUCrData","2016","1","1","x152489","","10.1107/S241431461502489X","","","0.71073","MoKα","","0.0258","0.0229","","","0.0538","0.0554","","","","","","1.098","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542454","6.1889","0.0018","6.614","0.002","7.835","0.002","90","","93.503","0.009","90","","320.11","0.16","120","2","120.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-Bromo-5-methylpyridine","","- C6 H6 Br N -","- C6 H6 Br N -","- C12 H12 Br2 N2 -","2","0.5","SU4009","Roy, Mrittika; Golen, James A.; Manke, David R.","2-Bromo-5-methylpyridine","IUCrData","2016","1","1","x160090","","10.1107/S2414314616000900","","","0.71073","MoKα","","0.0273","0.0228","","","0.0556","0.0596","","","","","","1.0987","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542455","10.2208","0.0005","10.8693","0.0006","18.1059","0.0006","90","","90","","90","","2011.44","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","ZQ4001","Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T.","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","IUCrData","2016","1","1","x160038","","10.1107/S2414314616000389","","","0.71069","MoKα","","0.0757","0.0467","","","0.123","0.1378","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542456","13.7434","0.0013","12.6277","0.0013","18.763","0.0018","90","","98.352","0.007","90","","3221.7","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{[1,1'-Bis(diphenylphosphino)ferrocene]digold}sulfide methanol monosolvate","μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ<i>P</i>,<i>P</i>']gold} methanol monosolvate","","- C35 H32 Au2 Fe O P2 S -","- C35 H32 Au2 Fe O P2 S -","- C140 H128 Au8 Fe4 O4 P8 S4 -","4","1","SJ4004","Itai, Takuma; Kojima, Tatsuhiro; Konno, Takumi","μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>']gold} methanol monosolvate","IUCrData","2016","1","1","x152492","","10.1107/S241431461502492X","","","0.71075","MoKα","","0.0409","0.0307","","","0.0502","0.0524","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","177503","2020-10-21","18:00:00",""
"1542457","9.2984","0.0012","9.3261","0.0014","12.5747","0.0016","107.16","0.002","103.719","0.003","96.55","0.002","992.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II)","","- C52 H36 Cd N10 O4 -","- C52 H36 Cd N10 O4 -","- C52 H36 Cd N10 O4 -","1","0.5","CV4002","Guo, Lei-Qun; Jiang, Yin-Hua","Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II)","IUCrData","2016","1","1","x160063","","10.1107/S2414314616000638","","","0.71073","MoKα","","0.0555","0.0494","","","0.117","0.1224","","","","","","1.067","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542458","14.3033","0.0006","10.3598","0.0004","20.2825","0.0009","90","","105.468","0.002","90","","2896.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate","","- C34 H40 B N3 O2 -","- C34 H40 B N3 O2 -","- C136 H160 B4 N12 O8 -","4","1","FF4001","Tiritiris, Ioannis; Kantlehner, Willi","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate","IUCrData","2016","1","1","x160109","","10.1107/S2414314616001097","","","0.71073","MoKα","","0.1172","0.0649","","","0.1256","0.1482","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542459","8.0307","0.0002","14.4939","0.0003","22.2528","0.0006","90","","98.814","0.002","90","","2559.55","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(η^2^,η^2^-Cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I)","","- C17 H19 Co -","- C17 H19 Co -","- C136 H152 Co8 -","8","2","","Jungk, Phillip; Spannenberg, Anke; Hapke, Marko","Crystal structure of (η^2^,η^2^-cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I)","IUCrData","2016","1","1","x160027","","10.1107/S2414314616000274","","","0.71073","MoKα","","0.0265","0.0221","","","0.0593","0.0603","","","","","","1.028","","","","has coordinates,has Fobs","177506","2020-10-21","18:00:00",""
"1542460","10.5015","0.0012","23.561","0.003","7.7533","0.0006","90","","96.604","0.008","90","","1905.6","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl[(<i>E</i>)-2-(1-methyl-5-nitro-1<i>H</i>-imidazol-4-yl)ethenyl]amine","","- C8 H12 N4 O2 -","- C8 H12 N4 O2 -","- C64 H96 N32 O16 -","8","2","","Beliaev, Nikolai; Slepukhin, Pavel","Crystal structure of dimethyl[(<i>E</i>)-2-(1-methyl-5-nitro-1<i>H</i>-imidazol-4-yl)ethenyl]amine","IUCrData","2016","1","1","x152488","","10.1107/S2414314615024888","","","0.71073","MoKα","","0.1139","0.0379","","","0.0619","0.0655","","","","","","1.003","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542461","9.205","0.006","9.688","0.007","12.943","0.009","104.871","0.011","91.465","0.007","100.983","0.012","1091.8","1.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","Tramadolium 2-chlorobenzoate","[2-Hydroxy-2-(3-methoxyphenyl)cyclohexylmethyl]dimethylammonium 2-chlorobenzoate","","- C23 H30 Cl N O4 -","- C23 H30 Cl N O4 -","- C46 H60 Cl2 N2 O8 -","2","1","HB4009","Sheshadri, S. N.; Nagendra, P.; Siddaraju, B. P.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","Tramadolium 2-chlorobenzoate","IUCrData","2016","1","1","x160014","","10.1107/S2414314616000146","","","0.71075","MoKα","","0.0667","0.0471","","","0.1022","0.1113","","","","","","1.025","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542462","5.2434","0.0004","25.902","0.002","7.7027","0.0006","90","","104.756","0.005","90","","1011.64","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-1-phenylpentan-1-one","","- C11 H13 Cl O -","- C11 H13 Cl O -","- C44 H52 Cl4 O4 -","4","1","CV4001","Bechmann, Nicole; Kniess, Torsten; Pietzsch, Jens; König, Jonas; Köckerling, Martin","5-Chloro-1-phenylpentan-1-one","IUCrData","2016","1","1","x160055","","10.1107/S2414314616000559","","","0.71073","MoKα","","0.0916","0.0426","","","0.086","0.1075","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542463","16.1061","0.0019","19.891","0.002","15.254","0.003","90","","90","","90","","4886.9","1.2","100","","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)","","- C48 H40 Mo4 O16 P4 -","- C48 H40 Mo4 O16 P4 -","- C192 H160 Mo16 O64 P16 -","4","0.5","SJ4007","Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl","Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)","IUCrData","2016","1","1","x160036","","10.1107/S2414314616000365","","","0.71073","MoKα","","0.0524","0.0386","","","0.078","0.09","","","","","","1.272","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542464","8.9361","0.0006","14.832","0.001","18.968","0.0013","90","","101.613","0.001","90","","2462.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II)","","- C23 H25 Cd N3 S4 -","- C23 H25 Cd N3 S4 -","- C92 H100 Cd4 N12 S16 -","4","1","SJ4002","Ehsan, Muhammad Ali; Mazhar, Muhammad; Tiekink, Edward R. T.","Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II)","IUCrData","2016","1","1","x152429","","10.1107/S2414314615024293","","","0.71073","MoKα","","0.0234","0.0202","","","0.0489","0.0508","","","","","","1.04","","","","has coordinates,has Fobs","177512","2020-10-21","18:00:00",""
"1542465","11.0767","0.0012","12.067","0.0013","12.16","0.0013","90.825","0.002","102.561","0.0019","95.142","0.002","1579.1","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one","","- C18 H17 Cl N2 O -","- C18 H17 Cl N2 O -","- C72 H68 Cl4 N8 O4 -","4","2","","Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Brighten Antony, Moonnanjilikkal; Ali Khan, Musthakeem","1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one","IUCrData","2016","1","1","x152460","","10.1107/S2414314615024608","","","0.71073","MoKα","","0.0431","0.0396","","","0.1155","0.1189","","","","","","1.097","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542466","13.225","0.0005","15.0844","0.0006","8.4294","0.0003","90","","93.951","0.003","90","","1677.59","0.11","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II)","","- C20 H19 N O3 Pt -","- C20 H19 N O3 Pt -","- C80 H76 N4 O12 Pt4 -","4","1","WM4002","Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc","{4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II)","IUCrData","2016","1","1","x152428","","10.1107/S2414314615024281","","","0.71073","MoKα","","0.0184","0.0153","","","0.0328","0.034","","","","","","1.048","","","","has coordinates","177514","2020-10-21","18:00:00",""
"1542467","7.328","0.0004","17.0138","0.0007","8.9223","0.0004","90","","107.818","0.005","90","","1059.05","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","VM4003","Baul, Tushar S. Basu; Chaurasiya, Anurag; Tiekink, Edward R. T.","3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate","IUCrData","2016","1","1","x152453","","10.1107/S2414314615024530","","","0.71073","MoKα","","0.0505","0.0408","","","0.1015","0.1093","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542468","8.1476","0.0002","17.6289","0.0004","8.8692","0.0003","90","","114.835","0.004","90","","1156.1","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2,2'-({[1,4-phenylenebis(azanediyl)]bis(methylene)}bis(1<i>H</i>-pyrrole-2,1-diyl))diacetate","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","0.5","SU4008","Alshawi, Jasim; Yousif, Muoayed; Timco, Grigore; Zangana, Karzan H.; Winpenny, Richard; Al-Jeboori, Mohamad J.","Diethyl 2,2'-({[1,4-phenylenebis(azanediyl)]bis(methylene)}bis(1<i>H</i>-pyrrole-2,1-diyl))diacetate","IUCrData","2016","1","1","x160046","","10.1107/S2414314616000468","","","0.71073","MoKα","","0.098","0.0535","","","0.1145","0.1349","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542469","9.654","0.0007","9.9211","0.0006","11.2854","0.0008","73.537","0.003","88.138","0.003","72.42","0.003","986.5","0.12","200","","200","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium]","","- C40 H52 Li2 N2 O4 S2 -","- C40 H52 Li2 N2 O4 S2 -","- C40 H52 Li2 N2 O4 S2 -","1","0.5","WM4006","Mdluli, Velabo; Golen, James A.; Manke, David R.","Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium]","IUCrData","2016","1","1","x160130","","10.1107/S2414314616001309","","","0.71073","MoKα","","0.0499","0.0419","","","0.1022","0.1105","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542470","6.0366","0.0004","7.6215","0.0005","23.0837","0.0014","90","","91.737","0.003","90","","1061.55","0.12","92","2","92","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-ferrocenylethanol","","- C12 H13 Cl Fe O -","- C12 H13 Cl Fe O -","- C48 H52 Cl4 Fe4 O4 -","4","1","HB4003","McAdam, C. John; Simpson, Jim","2-Chloro-1-ferrocenylethanol","IUCrData","2016","1","1","x160102","","10.1107/S2414314616001024","","","0.71073","MoKα","","0.0406","0.0349","","","0.0904","0.0941","","","","","","1.033","","","","has coordinates","177518","2020-10-21","18:00:00",""
"1542471","8.1839","0.0002","9.1461","0.0003","11.7669","0.0004","106.557","0.003","97.687","0.002","96.63","0.002","825.65","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one)","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","1","SU4002","Abdelhamida, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one)","IUCrData","2016","1","1","x152175","","10.1107/S2414314615021756","","x-ray","1.54184","CuKα","","0.0423","0.0391","","","0.0995","0.1033","","","","","","1.098","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542472","5.4194","0.0008","9.0619","0.0012","9.4607","0.0013","81.285","0.011","82.771","0.011","77.208","0.011","445.8","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraethyl pyrazine-2,3,5,6-tetracarboxylate","","- C16 H20 N2 O8 -","- C16 H20 N2 O8 -","- C16 H20 N2 O8 -","1","0.5","","Wang, Yi; Stoeckli-Evans, Helen","Tetraethyl pyrazine-2,3,5,6-tetracarboxylate","IUCrData","2016","1","1","x152174","","10.1107/S2414314615021744","","","0.71073","MoKα","","0.0837","0.0492","","","0.1137","0.1239","","","","","","0.857","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542473","21.494","0.004","6.43","0.0013","19.193","0.004","90","","99.98","0.03","90","","2612.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate","","- C10 H14 N8 O6.5 -","- C10 H14 N3 O6.5 -","- C80 H112 N24 O52 -","8","1","","Krueger, Martin; Albat, Martin; Pieper, Florian; Stock, Norbert","Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate","IUCrData","2016","1","1","x160048","","10.1107/S2414314616000481","","","0.71073","MoKα","","0.113","0.0509","","","0.1128","0.1394","","","","","","1.001","","","","has coordinates,has Fobs","194547","2020-10-21","18:00:00",""
"1542474","9.7194","0.0003","9.4737","0.0003","17.9416","0.0008","90","","105.386","0.001","90","","1592.83","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(morpholine-4-carboxamidinium) sulfate","","- C10 H24 N6 O6 S -","- C10 H24 N6 O6 S -","- C40 H96 N24 O24 S4 -","4","1","ZL4002","Tiritiris, Ioannis; Kantlehner, Willi","Morpholine-4-carboxamidinium sulfate","IUCrData","2016","1","1","x160069","","10.1107/S2414314616000699","","","0.71073","MoKα","","0.0383","0.031","","","0.0812","0.086","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542475","12.1957","0.0009","7.9654","0.0005","30.4821","0.0018","90","","97.934","0.004","90","","2932.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate","","- C26 H45 Br2 N6 O1.5 -","- C26 H45 Br2 N6 O1.5 -","- C104 H180 Br8 N24 O6 -","4","1","SJ4008","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate","IUCrData","2016","1","1","x160047","","10.1107/S241431461600047X","","","0.71073","MoKα","","0.07","0.0404","","","0.0794","0.088","","","","","","1.02","","","","has coordinates,has Fobs","177523","2020-10-21","18:00:00",""
"1542476","15.1282","0.0005","7.25666","0.00017","16.3038","0.0005","90","","108.013","0.003","90","","1702.11","0.09","95","2","95.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II)","","- C16 H19 Cl2 N O2 Pt -","- C16 H19 Cl2 N O2 Pt -","- C64 H76 Cl8 N4 O8 Pt4 -","4","1","SU4003","Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc","<i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II)","IUCrData","2016","1","1","x152176","","10.1107/S2414314615021768","","","0.71073","MoKα","","0.0285","0.0242","","","0.0485","0.0511","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","177524","2020-10-21","18:00:00",""
"1542477","7.0474","0.0003","9.7775","0.0005","12.8695","0.0006","71.744","0.003","89.177","0.004","72.582","0.004","800.44","0.07","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate","","- C13 H15 Cl4 N3 -","- C13 H15 Cl4 N3 -","- C26 H30 Cl8 N6 -","2","1","HB4005","Klass, Michaela; Näther, Christian; Tuczek, Felix","6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate","IUCrData","2016","1","1","x152467","","10.1107/S2414314615024670","","","0.71073","MoKα","","0.0464","0.0366","","","0.0956","0.0998","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542478","10.5878","0.0015","10.5878","0.0015","4.1528","0.0008","90","","90","","120","","403.17","0.11","293","2","293","2","","","","","","","","4","P -6","P -6","174","","Hexabarium lead(II) dodecafluoride dichloride","","- Ba5.78 Cl2 F12 Pb1.22 -","- Ba5.78 Cl2 F12 Pb1.22 -","- Ba5.78 Cl2 F12 Pb1.22 -","1","0.166667","HB4002","Weil, Matthias","The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~","IUCrData","2016","1","1","x152427","","10.1107/S241431461502427X","","","0.71073","MoKα","","0.0663","0.0568","","","0.1213","0.1272","","","","","","1.049","","","","has coordinates,has Fobs","177526","2020-10-21","18:00:00",""
"1542479","13.669","0.0007","10.817","0.0006","10.9271","0.0007","90","","109.365","0.007","90","","1524.25","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-(<i>tert</i>-butoxycarbonyl)phenyl)- 3-methylpyridine-1-oxide","<i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","ZS2359","Laus, Gerhard; Kahlenberg, Volker; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig","<i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate","IUCrData","2016","1","1","x152490","","10.1107/S2414314615024906","","","1.54184","CuKα","","0.0756","0.0531","","","0.137","0.1577","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542480","10.2774","0.0007","7.4256","0.0005","17.4094","0.0011","90","","92.472","0.006","90","","1327.38","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole","","- C15 H13 N2 P -","- C15 H13 N2 P -","- C60 H52 N8 P4 -","4","1","ZS2358","Duan, Lian; Ma, Fengle; Zheng, Wenjun","1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole","IUCrData","2016","1","1","x160083","","10.1107/S2414314616000833","","","0.71073","MoKα","","0.1208","0.0584","","","0.0996","0.1216","","","","","","1.008","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542481","7.3066","0.0004","7.9672","0.0004","12.8467","0.0007","72.994","0.003","86.5","0.003","87.152","0.003","713.42","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate","","- C14 H15 Br I N O2 -","- C14 H15 Br I N O2 -","- C28 H30 Br2 I2 N2 O4 -","2","1","WM4001","Barnes, Paul; Storey, John M. D.; Harrison, William T. A.","Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate","IUCrData","2016","1","1","x152178","","10.1107/S2414314615021781","","","0.71073","MoKα","","0.0803","0.0552","","","0.1208","0.1328","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542482","17.662","0.004","8.2854","0.0017","5.9719","0.0012","90","","91.38","0.03","90","","873.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Disodium <i>p</i>-terphenyl-4,4''-disulfonate","","- C18 H12 Na2 O6 S2 -","- C18 H12 Na2 O6 S2 -","- C36 H24 Na4 O12 S4 -","2","0.5","","Albat, Martin; Stock, Norbert","Polymeric structure of disodium <i>p</i>-terphenyl-4,4''-disulfonate [Na~2~(O~3~S-C~6~H~4~-C~6~H~4~-C~6~H~4~-SO~3~]","IUCrData","2016","1","1","x160039","","10.1107/S2414314616000390","","","0.71073","MoKα","","0.0986","0.0483","","","0.0937","0.1031","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542483","12.1802","0.0005","7.3646","0.0004","13.9001","0.0008","90","","112.276","0.003","90","","1153.82","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(2,5-Dichloroanilino)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]methanol","","- C10 H10 Cl2 N4 O -","- C10 H10 Cl2 N4 O -","- C40 H40 Cl8 N16 O4 -","4","1","HB4004","Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T.","[1-(2,5-Dichloroanilino)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]methanol","IUCrData","2016","1","1","x152447","","10.1107/S2414314615024475","","","0.71069","MoKα","","0.0654","0.0431","","","0.1053","0.1174","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542484","5.0283","0.0004","5.058","0.0004","20.8394","0.0018","86.645","0.002","83.338","0.003","68.908","0.005","491.08","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","<i>L</i>-Methionine–succinic acid (2/1)","","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","1","1","","Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P.","<small>L</small>-Methionine–succinic acid (2/1)","IUCrData","2016","1","1","x152459","","10.1107/S2414314615024591","","","0.71073","MoKα","","0.066","0.0634","","","0.1697","0.1711","","","","","","1.114","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542485","11.2972","0.0008","13.0708","0.001","21.3833","0.0017","90","","98.4","0.002","90","","3123.7","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane","","- C36 H40 S4 -","- C36 H40 S4 -","- C144 H160 S16 -","4","0.5","HB4001","Sohr, Barbara; Glöcklhofer, Florian; Stöger, Berthold; Weil, Matthias; Fröhlich, Johannes","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane","IUCrData","2016","1","1","x152426","","10.1107/S2414314615024268","","","0.71073","MoKα","","0.0531","0.0409","","","0.0572","0.058","","","","","","3.21","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542486","16.0067","0.0004","8.9455","0.0001","16.1617","0.0004","90","","128.853","0.004","90","","1802.17","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione","","- C21 H22 Br N O4 -","- C21 H22 Br N O4 -","- C84 H88 Br4 N4 O16 -","4","1","VM4001","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione","IUCrData","2016","1","1","x152425","","10.1107/S2414314615024256","","","1.54184","CuKα","","0.0184","0.0183","","","0.0474","0.0474","","","","","","1.056","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542487","7.8958","0.0002","8.0536","0.0002","25.2735","0.0008","90","","97.909","0.002","90","","1591.84","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","","- C15 H16 Br N O2 S2 -","- C15 H16 Br N O2 S2 -","- C60 H64 Br4 N4 O8 S8 -","4","1","BV4001","Vinduvahini, M.; Anitha, B. R.; Kumar, K. Mahesh; Kotresh, O.; Devarajegowda, H. C.","(6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","IUCrData","2016","1","1","x160015","","10.1107/S2414314616000158","","","0.71073","MoKα","","0.038","0.0303","","","0.0719","0.0744","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542488","6.907","0.004","10.32","0.007","10.707","0.007","68.331","0.014","81.936","0.015","71.917","0.012","673.9","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","(Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethan-1-aminium}dichloridozinc(II)","","- C6 H16 Cl2 N2 O2 S2 Zn -","- C6 H16 Cl2 N2 O2 S2 Zn -","- C12 H32 Cl4 N4 O4 S4 Zn2 -","2","1","GW2155","Kuwamura, Naoto; Laskar, Payel; Konno, Takumi","(Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethanaminium}dichloridozinc(II)","IUCrData","2016","1","1","x160105","","10.1107/S241431461600105X","","","0.71075","MoKα","","0.0639","0.0486","","","0.1174","0.1272","","","","","","1.104","","","","has coordinates,has Fobs","177537","2020-10-21","18:00:00",""
"1542489","6.9841","0.0014","8.3241","0.0018","13.116","0.003","89.276","0.009","75.614","0.009","72.095","0.01","701.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","","- C14 H13 N O2 S2 -","- C14 H13 N O2 S2 -","- C28 H26 N2 O4 S4 -","2","1","IS4001","El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","(<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","IUCrData","2016","1","1","x160052","","10.1107/S2414314616000523","","","0.71073","MoKα","","0.0517","0.0392","","","0.1051","0.1171","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542490","7.621","0.005","10.753","0.005","13.138","0.005","92.102","0.005","93.806","0.005","91.275","0.005","1073.2","1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C24 H24 Cl N O4 -","- C24 H24 Cl N O4 -","- C48 H48 Cl2 N2 O8 -","2","1","HB4010","Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2016","1","1","x160155","","10.1107/S2414314616001553","","","0.71073","MoKα","","0.0599","0.0439","","","0.1107","0.1221","","","","","","1.019","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542491","7.4235","0.0004","9.6339","0.0004","7.5209","0.0003","90","","99.728","0.002","90","","530.14","0.04","92","2","92","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-1-ferrocenylethanone","","- C12 H11 Cl Fe O -","- C12 H11 Cl Fe O -","- C24 H22 Cl2 Fe2 O2 -","2","1","WM4003","McAdam, C. John; Simpson, Jim","2-Chloro-1-ferrocenylethanone","IUCrData","2016","1","1","x152177","","10.1107/S241431461502177X","","","0.71073","MoKα","","0.021","0.0206","","","0.0524","0.0527","","","","","","1.061","","","","has coordinates,has Fobs","177540","2020-10-21","18:00:00",""
"1542492","20.944","0.006","9.316","0.003","24.309","0.007","90","","90","","90","","4743","2","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","","- C25 H20 O12 -","- C25 H20 O12 -","- C200 H160 O96 -","8","1","ZS2360","Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","IUCrData","2016","1","1","x160028","","10.1107/S2414314616000286","","","0.71073","MoKα","","0.0838","0.0616","","","0.156","0.1789","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542493","20.7072","0.0008","20.4462","0.0008","12.8292","0.0005","90","","107.294","0.001","90","","5186.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>-Triethylethanaminium 5,11,17,23-tetra-<i>tert</i>-butyl-25-cyanomethoxy-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene","","- C50 H68 N2 O4 S4 -","- C50 H68 N2 O4 S4 -","- C200 H272 N8 O16 S16 -","4","1","SU4010","Omran, Omran A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Mohamed, Alaa F.","<i>N</i>,<i>N</i>,<i>N</i>-Triethylethanaminium 5,11,17,23-tetra-<i>tert</i>-butyl-25-cyanomethoxy-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene: a molecular salt","IUCrData","2016","1","1","x160115","","10.1107/S2414314616001152","","","1.54178","CuKα","","0.0506","0.0462","","","0.1317","0.136","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542494","10.922","0.005","11.661","0.005","13.641","0.006","86.619","0.005","79.75","0.005","62.441","0.005","1515.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(η4-NBD)Ru(η2-3,5-tBu2dp)2","(η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium","","- C27 H44 N4 P2 Ru -","- C27 H44 N4 P2 Ru -","- C54 H88 N8 P4 Ru2 -","2","1","LH4001","Ren, Lili; Zheng, Wenjun","(η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium","IUCrData","2016","1","1","x160110","","10.1107/S2414314616001103","","","0.71073","MoKα","","0.055","0.0405","","","0.0965","0.1024","","","","","","1","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542495","7.4556","0.0011","12.9055","0.0019","16.334","0.002","90","","95.063","0.005","90","","1565.5","0.4","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate","","- C8 H5 Br N O2.5 -","- C8 H5 Br N O2.5 -","- C64 H40 Br8 N8 O20 -","8","1","TK4001","Turbitt, John R.; Golen, James A.; Manke, David R.","6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate","IUCrData","2016","1","1","x152434","","10.1107/S2414314615024347","","","0.71073","MoKα","","0.0298","0.0237","","","0.0617","0.0651","","","","","","1.085","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542496","7.351","0.003","12.452","0.004","13.423","0.005","90","","90","","90","","1228.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C48 H64 N8 O8 S4 -","4","1","VM4002","Jamaludin, Nazzatush Shimar; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea","IUCrData","2016","1","1","x152457","","10.1107/S2414314615024578","","","0.71073","MoKα","","0.0337","0.0309","","","0.0715","0.0733","","","","","","1.017","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542497","12.1691","0.0009","13.1263","0.001","12.275","0.0009","90","","99.818","0.001","90","","1932","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>syn</i>-6,15-Dihydroxy-2,11-dithia[3.3]metacyclophane ethyl acetate monosolvate","","- C20 H24 O4 S2 -","- C20 H24 O4 S2 -","- C80 H96 O16 S8 -","4","1","BH4001","Moriguchi, Tetsuji; Miyamoto, Daisuke; Jalli, Ventakaprasad; Yoza, Kenji; Tsuge, Akihiko","<i>syn</i>-6,15-Dihydroxy-2,11-dithia[3.3]metacyclophane ethyl acetate monosolvate","IUCrData","2016","1","1","x160082","","10.1107/S2414314616000821","","","0.71073","MoKα","","0.0623","0.0431","","","0.092","0.0996","","","","","","1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542502","12.209","0.0005","20.3796","0.0014","7.4335","0.0009","90","","95.98","0.004","90","","1839.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(5-Methyl-benzofuran-3-yl)-acetic acid","2-(5-Methyl-1-benzofuran-3-yl)acetic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","","Ramprasad, N.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha","2-(5-Methyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","2","x160170","","10.1107/S241431461600170X","","","0.71073","MoKα","","0.0828","0.0414","","","0.0943","0.1149","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542503","22.135","0.004","8.468","0.0016","8.6198","0.0017","90","","93.287","0.002","90","","1613","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole","","- C18 H20 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","HB4011","Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko","2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole","IUCrData","2016","1","2","x160167","","10.1107/S241431461600167X","","","0.71073","MoKα","","0.0368","0.0309","","","0.0883","0.1014","","","","","","1.109","","","","has coordinates,has Fobs","177481","2020-10-21","18:00:00",""
"1542504","5.1565","0.0006","12.4881","0.0009","15.1083","0.0012","90","","90","","90","","972.9","0.15","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Limbach, Daniel; Stengelin, Elena; Schollmeyer, Dieter; Detert, Heiner","1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one","IUCrData","2016","1","2","x160125","","10.1107/S2414314616001255","","","0.71073","MoKα","","0.0384","0.0331","","","0.0836","0.0879","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542505","8.877","0.001","14.533","0.002","17.748","0.002","90","","90","","90","","2289.7","0.5","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Limonin","(4a<i>S</i>,14b<i>R</i>)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1<i>H</i>,3<i>H</i>-oxireno[2,3-<i>d</i>]pyrano[4',3':3,3a]isobenzofuro[5,4-<i>f</i>]isochromene-3,8,10(6<i>H</i>,9a<i>H</i>)-trione","","- C26 H30 O8 -","- C26 H30 O8 -","- C104 H120 O32 -","4","1","SU5274","Bauri, A. K.; Foro, Sabine; Nhu, Quynh Nguyen Do","Limonin isolated from the seeds of <i>Citrus limetta</i> (Indian sweet lemon)","IUCrData","2016","1","2","x160172","","10.1107/S2414314616001723","","","1.5418","CuKα","","0.044","0.036","","","0.106","0.1103","","","","","","1.104","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:44",""
"1542506","11.6767","0.0003","16.2058","0.0003","9.1417","0.0002","90","","99.486","0.002","90","","1706.23","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(7,8-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C18 H21 N O2 S2 -","- C18 H21 N O2 S2 -","- C72 H84 N4 O8 S8 -","4","1","HB4015","Ravi, A. J.; Kumar, K. Mahesh; Devarajegowda, H. C.","(7,8-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","IUCrData","2016","1","2","x160171","","10.1107/S2414314616001711","","","0.71073","MoKα","","0.0862","0.0487","","","0.1233","0.1404","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542507","5.4965","0.0005","11.9528","0.001","17.7702","0.0018","90","","95.354","0.003","90","","1162.38","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6<i>H</i>-Dipyrido[1,2-<i>a</i>:2',1'-<i>d</i>][1,3,5]triazin-5-ium bromide monohydrate","","- C11 H12 Br N3 O -","- C11 H12 Br N3 O -","- C44 H48 Br4 N12 O4 -","4","1","","Jiang, Xian-Wu; Zhang, Heng-Qiang; Sun, Zhuo-Dong; Shan, Yong-Kui","6<i>H</i>-Dipyrido[1,2-<i>a</i>:2',1'-<i>d</i>][1,3,5]triazin-5-ium bromide monohydrate","IUCrData","2016","1","2","x160180","","10.1107/S2414314616001802","","","0.71073","MoKα","","0.0666","0.0386","","","0.0789","0.0882","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542508","10.9608","0.0009","9.5199","0.0008","14.0262","0.0011","90","","95.398","0.001","90","","1457.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3-Chlorophenyl)-1-(3-chloropropyl)piperazin-1-ium chloride","","- C13 H19 Cl3 N2 -","- C13 H19 Cl3 N2 -","- C52 H76 Cl12 N8 -","4","1","HB4012","Bhat, Muzzaffar Ahmad; Srivastava, Sanjay K.; Sharma, Pooja; Chopra, Ambika; Butcher, Ray J.","4-(3-Chlorophenyl)-1-(3-chloropropyl)piperazin-1-ium chloride redetermined at 100K","IUCrData","2016","1","2","x160168","","10.1107/S2414314616001681","","","0.71073","MoKα","","0.0328","0.0296","","","0.0811","0.0833","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542509","6.9573","0.0002","7.9838","0.0002","15.6037","0.0004","75.485","0.002","87.122","0.001","75.763","0.001","813.22","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","","- C17 H19 N O3 S2 -","- C17 H19 N O3 S2 -","- C34 H38 N2 O6 S4 -","2","1","HB4013","Anitha, B. R.; Roopashree, K. R.; Kumar, K. Mahesh; Ravi, A. J.; Devarajegowda, H. C.","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","IUCrData","2016","1","2","x160169","","10.1107/S2414314616001693","","","0.71073","MoKα","","0.0348","0.0298","","","0.0826","0.0844","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542510","14.1885","0.0005","17.5801","0.0007","22.2543","0.0009","72.911","0.005","86.243","0.006","80.123","0.006","5226.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-pentamethyl-<i>N</i>''- [2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate","","- C62 H74 B2 N4 O -","- C62 H74 B2 N4 O -","- C248 H296 B8 N16 O4 -","4","2","ZL4004","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate","IUCrData","2016","1","2","x160231","","10.1107/S2414314616002315","","","0.71073","MoKα","","0.0694","0.0462","","","0.0975","0.1085","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542511","7.344","0.001","14.831","0.001","15.267","0.001","79.094","0.01","79.627","0.01","87.508","0.01","1606.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide","","- C19 H19 Fe N O -","- C19 H19 Fe N O -","- C76 H76 Fe4 N4 O4 -","4","2","SJ5494","Khelef, Abdelhamid; Mahboub, Mohammed Sadok; Lanez, Touhami","<i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide","IUCrData","2016","1","2","x160203","","10.1107/S2414314616002030","","","0.71073","MoKα","","0.0673","0.0424","","","0.1003","0.1148","","","","","","1.023","","","","has coordinates,has Fobs","177489","2020-10-21","18:00:00",""
"1542512","7.6138","0.0009","13.9658","0.0017","7.3866","0.001","90","","91.249","0.005","90","","785.25","0.17","298","2","297.68","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","SU4013","Golen, James A.; Manke, David R.","4-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160215","","10.1107/S2414314616002157","","","0.71073","MoKα","","0.0437","0.0332","","","0.0761","0.0819","","","","","","1.193","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542513","11.1568","0.0006","9.7852","0.0004","12.5715","0.0006","90","","107.055","0.01","90","","1312.09","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[silver(I)-μ-[1-(pyridin-2-ylmethyl-κ<i>N</i>)-3-(3-sulfonatopropyl)imidazolin-2-ylidene]-κ<i>C</i>^2^]","","- C12 H14 Ag N3 O3 S -","- C12 H14 Ag N3 O3 S -","- C48 H56 Ag4 N12 O12 S4 -","4","1","HB4016","Rietzler, Barbara; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","<i>catena</i>-Poly[silver(I)-μ-[1-(pyridin-2-ylmethyl-κ<i>N</i>)-3-(3-sulfonatopropyl)imidazolin-2-ylidene]-κ<i>C</i>^2^]","IUCrData","2016","1","2","x160245","","10.1107/S2414314616002455","","","0.71073","MoKα","","0.0464","0.0315","","","0.0605","0.0657","","","","","","1.024","","","","has coordinates,has Fobs","177491","2020-10-21","18:00:00",""
"1542514","6.588","0.002","16.582","0.005","19.448","0.007","90","","95.051","0.007","90","","2116.3","1.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzyl)[(<i>R</i>)-1-phenylethyl]amine","2,4-Di-<i>tert</i>-butyl-6-({[(<i>R</i>)-1-phenylethyl]amino}methyl)phenol","","- C23 H33 N O -","- C23 H33 N O -","- C92 H132 N4 O4 -","4","2","HB4018","Zhang, Fangqin; Zhang, Yongbin; Liu, Diansheng","2,4-Di-<i>tert</i>-butyl-6-({[(<i>R</i>)-1-phenylethyl]amino}methyl)phenol","IUCrData","2016","1","2","x160205","","10.1107/S2414314616002054","","","0.71073","MoKα","","0.1689","0.0844","","","0.1694","0.2116","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542515","6.9957","0.0007","12.0819","0.001","20.904","0.002","90","","97.296","0.01","90","","1752.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate","","- C38 H30 N4 O12 Pt S2 -","- C38 H30 N4 O12 Pt S2 -","- C76 H60 N8 O24 Pt2 S4 -","2","0.5","IM4001","Liu, Jing; Zhu, Long-Guan","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate","IUCrData","2016","1","2","x160211","","10.1107/S241431461600211X","","","0.71073","MoKα","","0.0786","0.0496","","","0.1105","0.1216","","","","","","1.159","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542516","6.24258","0.00011","11.4063","0.0002","26.2386","0.0005","90","","90.1171","0.0007","90","","1868.31","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate","","- C18 H20 N2 O3 S2 -","- C18 H20 N2 O3 S2 -","- C72 H80 N8 O12 S8 -","4","1","","Islam, M. A. A. A. A.; Sheikh, M. C.; Mahmud, A. A.; Miyatake, R.; Zangrando, E.","Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate","IUCrData","2016","1","2","x160190","","10.1107/S2414314616001905","","","1.54187","CuKα","","","0.0373","","","","0.0978","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542517","4.988","0.0003","5.5522","0.0003","24.2578","0.0012","90","","90","","90","","671.8","0.06","298","2","297.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Fluoro-1<i>H</i>-indole-2,3-dione","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","SJ4011","Golen, James A.; Manke, David R.","6-Fluoro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160165","","10.1107/S2414314616001656","","","1.54178","CuKα","","0.039","0.0386","","","0.1112","0.1115","","","","","","1.1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542518","13.8527","0.0005","10.4892","0.0004","16.7462","0.0006","90","","103.034","0.002","90","","2370.6","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Octamethylbut-2-yne)bisamidinium bis(tetraphenylborate)","","- C60 H64 B2 N4 -","- C60 H64 B2 N4 -","- C120 H128 B4 N8 -","2","0.5","HB4007","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Octamethyl(but-2-yne)bisamidinium bis(tetraphenylborate)","IUCrData","2016","1","2","x160166","","10.1107/S2414314616001668","","","0.71073","MoKα","","0.051","0.0401","","","0.105","0.1125","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542519","25.1411","0.0018","5.6851","0.0004","5.1593","0.0003","90","","90","","90","","737.42","0.09","120","2","120.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","FF4002","Gurung, Sita; Golen, James A.; Manke, David R.","5-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160177","","10.1107/S2414314616001772","","","0.71073","MoKα","","0.0297","0.025","","","0.053","0.0543","","","","","","1.121","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542520","11.4419","0.0003","14.1461","0.0005","18.8503","0.0009","110.635","0.0013","101.824","0.001","97.8879","0.0008","2720.7","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone disolvate","","- C64 H78 B2 N4 O2 -","- C64 H78 B2 N4 O2 -","- C128 H156 B4 N8 O4 -","2","1","ZL4003","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone disolvate","IUCrData","2016","1","2","x160129","","10.1107/S2414314616001292","","","0.71073","MoKα","","0.067","0.0501","","","0.1265","0.1382","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542528","6.8759","0.0004","8.2563","0.0005","12.0403","0.0007","109.156","0.002","103.979","0.002","91.485","0.002","622.41","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C14 H10 Cl N3 O -","- C14 H10 Cl N3 O -","- C28 H20 Cl2 N6 O2 -","2","1","","Bittencourt, Viviane C. D.; Almeida, Roberta M. F. C.; Bortoluzzi, Adailton J.; Gervini, Vanessa C.; de Oliveira, Adriano Bof","(3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","IUCrData","2016","1","2","x160258","","10.1107/S2414314616002583","","","0.71073","MoKα","","0.046","0.0345","","","0.0985","0.1036","","","","","","1.093","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542529","3.832","0.0007","13.072","0.002","15.004","0.003","90","","91.917","0.007","90","","751.2","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","VM4006","Golen, James A.; Manke, David R.","7-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160268","","10.1107/S2414314616002686","","","0.71073","MoKα","","0.0344","0.0286","","","0.0694","0.072","","","","","","1.185","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542530","9.4495","0.0006","10.0608","0.0006","12.3484","0.0008","109.133","0.001","91.964","0.001","106.201","0.001","1054.79","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-3-methoxyphenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione pentahydrate","","- C15 H22 N4 O16 -","- C15 H22 N4 O16 -","- C30 H44 N8 O32 -","2","1","","Bengiat, Ravell; Klein, Asne; Gil, Maayan; Bogoslavsky, Benny; Cohen, Shmuel; Yardeni, Guy; Zilbermann, Israel; Almog, Joseph","5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-3,5-dihydro-1<i>H</i>-pyrimidin-5-yl)-3-methoxyphenyl]-5-hydroxy-3,5-dihydro-1<i>H</i>-pyrimidine-2,4,6-trione pentahydrate","IUCrData","2016","1","2","x160261","","10.1107/S2414314616002613","","","0.71073","MoKα","","0.049","0.045","","","0.1288","0.133","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542531","11.913","0.0009","11.445","0.001","20.7458","0.0017","90","","90","","90","","2828.6","0.4","120","2","120.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","","- C26 H30 Cl4 N6 Ni2 O2 -","- C26 H30 Cl4 N6 Ni2 O2 -","- C104 H120 Cl16 N24 Ni8 O8 -","4","0.5","LH5805","Glazier, Brian M.; Golen, James A.; Manke, David R.","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","IUCrData","2016","1","2","x160259","","10.1107/S2414314616002595","","","1.54178","CuKα","","0.0466","0.0315","","","0.0677","0.0729","","","","","","1.044","","","","has coordinates,has Fobs","176772","2020-10-21","18:00:00",""
"1542532","7.3655","0.0011","13.689","0.002","7.2866","0.0012","90","","93.378","0.005","90","","733.4","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","VM4004","Huang, Haobo; Golen, James A.; Manke, David R.","4-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160007","","10.1107/S2414314616000079","","","0.71073","MoKα","","0.0209","0.0185","","","0.0477","0.0493","","","","","","1.08","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542540","8.9771","0.0005","12.868","0.0008","14.5449","0.0009","90","","90","","90","","1680.19","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Caesium tetramethylammonium dodecahydro-<i>closo</i>-dodecaborate monohydrate","","- C4 H26 B12 Cs N O -","- C4 H26 B12 Cs N O -","- C16 H104 B48 Cs4 N4 O4 -","4","1","WM4007","Tiritiris, Ioannis; Schleid, Thomas","Caesium tetramethylammonium dodecahydrido-<i>closo</i>-dodecaborate monohydrate","IUCrData","2016","1","2","x160291","","10.1107/S2414314616002911","","","0.71073","MoKα","","0.0259","0.0241","","","0.0616","0.0628","","","","","","1.054","","","","has coordinates,has Fobs","176884","2020-10-21","18:00:00",""
"1542541","5.6473","0.0002","26.7798","0.0009","13.3219","0.0004","90","","99.743","0.002","90","","1985.66","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 3-amino-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2,5-dicarboxylate","","- C22 H22 N2 O4 S -","- C22 H22 N2 O4 S -","- C88 H88 N8 O16 S4 -","4","1","ZP4002","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Diethyl 3-amino-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2,5-dicarboxylate","IUCrData","2016","1","2","x160270","","10.1107/S2414314616002704","","","1.54178","CuKα","","0.0481","0.0372","","","0.0876","0.0936","","","","","","1.065","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542542","6.778","0.003","6.953","0.003","9.458","0.004","109.182","0.006","93.369","0.006","98.437","0.006","413.7","0.3","173","","173","","","","","","","","","4","P 1","P 1","1","","4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate","","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","1","1","RZ4001","Numata, Takashi; Ikenomoto, Shun; Akitsu, Takashiro","4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate","IUCrData","2016","1","2","x160252","","10.1107/S2414314616002522","","","0.71073","MoKα","","0.0394","0.0383","","","0.1009","0.1025","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542601","6.4998","0.0002","7.4286","0.0002","14.8289","0.0004","84.859","0.002","86.707","0.002","83.313","0.002","707.47","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide","","- C14 H8 Cl F3 N2 O -","- C14 H8 Cl F3 N2 O -","- C28 H16 Cl2 F6 N4 O2 -","2","1","IS4002","Maheswari, R.; Manjula, J.; Gunasekaran, B.","(<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide","IUCrData","2016","1","3","x160304","","10.1107/S2414314616003047","","","0.71073","MoKα","","0.0579","0.0419","","","0.1111","0.1203","","","","","","0.994","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542602","9.9339","0.0011","10.6614","0.0009","12.6802","0.0014","90","","105.863","0.011","90","","1291.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Hydroxy-1-(2-hydroxybenzoyl)-3-methyl-5-(trifluoromethyl)pyrazoline","(5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(2-hydroxyphenyl)methanone","","- C12 H11 F3 N2 O3 -","- C12 H11 F3 N2 O3 -","- C48 H44 F12 N8 O12 -","4","1","SU4011","Avezov, Kuvondik G.; Umarov, Bako B.; Talipov, Samat A.; Kunafiev, Rishad J.; Ibragimov, Bakhtiyar T.","(5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(2-hydroxyphenyl)methanone","IUCrData","2016","1","3","x160316","","10.1107/S2414314616003163","","","1.54184","CuKα","","0.0906","0.0504","","","0.119","0.1447","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542726","16.401","0.002","6.9386","0.0009","20.666","0.002","90","","97.089","0.003","90","","2333.8","0.5","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1a<i>R</i>*,2<i>R</i>*,7<i>S</i>*,7a<i>S</i>*)-<i>rel</i>-3,6-Dimethoxy-2-methyl-1a,2,7,7a-tetrahydro-2,7-epoxy-1<i>H</i>-cyclopropa[<i>b</i>]naphthalene","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","1","HB4021","Lough, Alan J.; Carlson, Emily; Tam, William","(1a<i>R</i>*,2<i>R</i>*,7<i>S</i>*,7a<i>S</i>*)-<i>rel</i>-3,6-Dimethoxy-2-methyl-1a,2,7,7a-tetrahydro-2,7-epoxy-1<i>H</i>-cyclopropa[<i>b</i>]naphthalene","IUCrData","2016","1","3","x160341","","10.1107/S2414314616003412","","","0.71073","MoKα","","0.0672","0.0409","","","0.0909","0.1038","","","","","","1.017","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542727","12.44","0.003","13.07","0.003","13.579","0.003","93.489","0.005","117.157","0.004","115.354","0.004","1682.6","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate","","- C76 H72 Ag2 Cl N O5 P4 S2 -","- C76 H72 Ag2 Cl N O5 P4 S2 -","- C76 H72 Ag2 Cl N O5 P4 S2 -","1","0.5","WM4005","Li, Yun-Hua; Shao, Yong-Liang","μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate","IUCrData","2016","1","3","x160332","","10.1107/S2414314616003321","","","0.71073","MoKα","","0.0707","0.0639","","","0.1477","0.1528","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","177601","2020-10-21","18:00:00",""
"1542728","5.2542","0.0017","10.374","0.003","11.341","0.004","94.937","0.003","102.429","0.003","102.811","0.003","582.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Hexyl-3,4-dihydroxybenzamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C26 H38 N2 O6 -","2","1","SU4015","Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko","<i>N</i>-Hexyl-3,4-dihydroxybenzamide","IUCrData","2016","1","3","x160346","","10.1107/S2414314616003461","","","0.71073","MoKα","","0.0448","0.0355","","","0.085","0.0897","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542729","15.262","0.006","9.355","0.004","15.832","0.006","90","","92.858","0.004","90","","2257.6","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu-tpbn","[μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-2-ylmethyl)butane-1,4-diamine]bis[(dimethanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)] bis(perchlorate)","","- C32 H48 Cl4 Cu2 N6 O20 -","- C32 H48 Cl4 Cu2 N6 O20 -","- C64 H96 Cl8 Cu4 N12 O40 -","2","0.5","BT4002","Zhu, Xian-Hong; Li, Peng; Chen, Xiao-Wei; Ke, Wen-Shan; Chen, Fei; Zhang, Hua-Xin","[μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-2-ylmethyl)butane-1,4-diamine]bis[(dimethanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)] bis(perchlorate)","IUCrData","2016","1","3","x160344","","10.1107/S2414314616003448","","","0.71073","MoKα","","0.0453","0.0398","","","0.1148","0.1193","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542754","11.962","0.0007","9.0103","0.0005","13.2047","0.0008","90","","109.893","0.006","90","","1338.29","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Z)-N-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","(<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","","- C14 H8 I N3 O2 -","- C14 H8 I N3 O2 -","- C56 H32 I4 N12 O8 -","4","1","TK4003","Moreno-Fuquen, Rodolfo; Garcia, Andres C.; Abonia, Rodrigo; Jaramillo-Gómez, Luz M.; Kennedy, Alan R.","(<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","IUCrData","2016","1","2","x160315","","10.1107/S2414314616003151","","","0.71073","MoKα","","0.0392","0.0319","","","0.0801","0.0866","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:45",""
"1542755","4.5856","0.0003","14.2281","0.0009","8.3312","0.0004","90","","98.515","0.005","90","","537.57","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","0.5","HG4003","Wickramasinhage, Ravindra; McAdam, C. John; Simpson, Jim","2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde","IUCrData","2016","1","2","x160307","","10.1107/S2414314616003072","","","1.54184","CuKα","","0.072","0.0648","","","0.1815","0.1864","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542756","11.0447","0.0005","13.4587","0.0006","13.9291","0.0006","64.297","0.004","82.371","0.004","85.629","0.004","1848.74","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[η2(N,N)-Ph2Si(DippN)2Ge(μ-S)]2","1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate","","- C74 H91 Ge2 N5 S2 Si2 -","- C74 H91 Ge2 N5 S2 Si2 -","- C74 H91 Ge2 N5 S2 Si2 -","1","0.5","SJ4006","Guo, Wenzhen; Ma, Fengle; Zheng, Wenjun","1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate","IUCrData","2016","1","2","x160299","","10.1107/S2414314616002996","","","0.71073","MoKα","","0.0678","0.046","","","0.1238","0.1375","","","","","","1.075","","","","has coordinates,has Fobs","178122","2020-10-21","18:00:00",""
"1542757","12.6427","0.0006","18.8486","0.0011","15.1377","0.0009","90","","112.782","0.002","90","","3325.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate","","- C32 H78 Bi4 Cl16 N14 -","- C32 H78 Bi4 Cl16 N14 -","- C64 H156 Bi8 Cl32 N28 -","2","0.5","ZL4006","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate","IUCrData","2016","1","2","x160317","","10.1107/S2414314616003175","","","0.71073","MoKα","","0.033","0.0211","","","0.0355","0.038","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:45",""
"1542876","15.0004","0.0004","7.9035","0.0003","16.888","0.0006","90","","101.057","0.001","90","","1965","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Chloro-1-(prop-2-ynyl)indoline-2,3-dione","","- C11 H6 Cl N O2 -","- C11 H6 Cl N O2 -","- C88 H48 Cl8 N8 O16 -","8","1","SU4018","Bargavi, Srinivasan; Kandhasamy, Subramani; Perumal, Paramasivam T.; Lakshmi, Srinivasakannan","5-Chloro-1-(prop-2-ynyl)indoline-2,3-dione","IUCrData","2016","1","3","x160397","","10.1107/S2414314616003977","","","0.71073","MoKα","","0.0442","0.0342","","","0.0841","0.0924","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542877","10.216","0.003","8.507","0.002","11.445","0.004","90","","101.807","0.017","90","","973.6","0.5","110","","110","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Tetramethylammonium trifluoromethanesulfonate","","- C5 H12 F3 N O3 S -","- C5 H12 F3 N O3 S -","- C20 H48 F12 N4 O12 S4 -","4","1","ZQ4003","Bourque, Jeremy L.; Baines, Kim M.","Tetramethylammonium trifluoromethanesulfonate","IUCrData","2016","1","3","x160370","","10.1107/S2414314616003709","","","0.71073","MoKα","","0.0581","0.0395","","","0.0988","0.1057","","","","","","1.059","","","","has coordinates,has Fobs","178204","2020-10-21","18:00:00",""
"1542878","18.7962","0.0011","18.7962","0.0011","36.666","0.002","90","","90","","120","","11218.5","1.1","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)","","- C39 H90 Bi3 I12 N9 -","- C39 H90 Bi3 I12 N9 -","- C234 H540 Bi18 I72 N54 -","6","","PK4002","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)","IUCrData","2016","1","3","x160391","","10.1107/S2414314616003916","","","0.71073","MoKα","","0.0417","0.0236","","","0.0383","0.0417","","","","","","1.052","","","","has coordinates,has Fobs","178205","2020-10-21","18:00:00",""
"1542879","4.5284","0.0002","13.2044","0.0006","25.9133","0.0011","96.663","0.003","90.728","0.003","95.393","0.003","1531.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-1-octylindoline-2,3-dione","","- C16 H20 Br N O2 -","- C16 H20 Br N O2 -","- C64 H80 Br4 N4 O8 -","4","2","","Kharbach, Yassine; Kandri Rodi, Youssef; Capet, Frédéric; Essassi, El Mokhtar; El Ammari, Lahcen","5-Bromo-1-octylindoline-2,3-dione","IUCrData","2016","1","3","x160371","","10.1107/S2414314616003710","","","0.71073","MoKα","","0.0461","0.0315","","","0.0669","0.0701","","","","","","1.216","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542880","4.0896","0.0003","13.2139","0.001","15.1946","0.0011","90","","92.325","0.004","90","","820.43","0.1","296","2","295.85","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-Iodoisatin","7-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","FF4004","Golen, James A.; Manke, David R.","7-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","3","x160412","","10.1107/S2414314616004120","","","1.54178","CuKα","","0.0398","0.0336","","","0.0734","0.0763","","","","","","1.123","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542881","3.9283","0.0004","5.9578","0.0006","15.1246","0.0014","92.925","0.003","90.62","0.004","94.71","0.004","352.28","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-Bromo-2-hydroxybenzoic acid","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","HB4022","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","4-Bromo-2-hydroxybenzoic acid","IUCrData","2016","1","3","x160325","","10.1107/S2414314616003254","","","1.54178","CuKα","","0.033","0.0324","","","0.0806","0.0811","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542882","8.1735","0.0007","12.9313","0.0009","8.73","0.0008","90","","105.803","0.009","90","","887.83","0.13","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4,6-trimethylbenzene-1,3-diamine","2,4,6-Trimethylbenzene-1,3-diamine","","- C9 H14 N2 -","- C9 H14 N2 -","- C36 H56 N8 -","4","1","HB4017","Brihi, Ouarda; Hamdouni, Noudjoud; Boulcina, Raouf; Medjani, Meriem; Meinnel, Jean; Boudjada, Ali","Diaminomesitylene","IUCrData","2016","1","3","x160351","","10.1107/S2414314616003515","","","0.71073","MoKα","","0.09","0.0488","","0.162","0.1087","0.1029","","","","","","0.879","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542883","23.077","0.011","18.798","0.009","11.169","0.006","90","","98.744","0.007","90","","4789","4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium","","- C33 H68 Li N9 Si6 -","- C33 H68 Li N9 Si6 -","- C132 H272 Li4 N36 Si24 -","4","1","BH4002","Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L.","Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium","IUCrData","2016","1","3","x160338","","10.1107/S2414314616003382","","","0.71073","MoKα","","0.1312","0.0681","","","0.1345","0.1745","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542884","6.517","0.0012","19.393","0.003","8.5991","0.0016","90","","102.287","0.005","90","","1061.9","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III)","","- C5 H9 Cl3 Ga N -","- C5 H9 Cl3 Ga N -","- C20 H36 Cl12 Ga4 N4 -","4","1","WM4009","Bourque, Jeremy L.; Tashkandi, Nada Y.; Baines, Kim M.","(<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III)","IUCrData","2016","1","3","x160389","","10.1107/S2414314616003898","","","1.54178","CuKα","","0.0223","0.0211","","","0.0536","0.0545","","","","","","1.108","","","","has coordinates,has Fobs","178211","2020-10-21","18:00:00",""
"1542885","31.27","0.002","5.672","0.0004","7.8812","0.0005","90","","99.271","0.003","90","","1379.58","0.16","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-Benzyloxy-1,1'-biphenyl","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Adam, Farook; Ameram, Nadiah; Kamath, Shevgoor Dhiraj; Pallavi; Samshuddin, Seranthimata","4-Benzyloxy-1,1'-biphenyl","IUCrData","2016","1","3","x160398","","10.1107/S2414314616003989","","","0.71073","MoKα","","0.0389","0.0339","","","0.0965","0.104","","","","","","0.867","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542886","11.39","0.002","10.9935","0.0018","12.5613","0.0019","90","","113.79","0.009","90","","1439.2","0.4","200","2","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylcyclohexyl <i>p</i>-toluenesulfonate","4-Methylcyclohexyl 4-methylbenzenesulfonate","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C56 H80 O12 S4 -","4","1","VM4007","Paquin, Cyrenus T.; Boerth, Donald W.; Golen, James A.; Manke, David R.","4-Methylcyclohexyl <i>p</i>-toluenesulfonate","IUCrData","2016","1","3","x160390","","10.1107/S2414314616003904","","","1.54178","CuKα","","0.0733","0.0494","","","0.1333","0.1505","","","","","","1.092","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542887","14.6122","0.0015","8.3882","0.0009","20.911","0.002","90","","90","","90","","2563.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-5-methylindoline-2,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","","Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P.","1-Benzyl-5-methylindoline-2,3-dione","IUCrData","2016","1","3","x160381","","10.1107/S2414314616003813","","","0.71073","MoKα","","0.1172","0.0566","","","0.1275","0.1638","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542899","8.1828","0.0002","12.1541","0.0003","12.3654","0.0003","114.474","0.001","93.681","0.001","96.949","0.001","1102.14","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-{[5-(4-Chlorophenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>-(4-nitrophenyl)acetamide","","- C23 H18 Cl N5 O4 S -","- C23 H18 Cl N5 O4 S -","- C46 H36 Cl2 N10 O8 S2 -","2","1","IS4005","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Bakhite, Etify A.; Albayati, Mustafa R.","2-{[5-(4-Chlorophenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>-(4-nitrophenyl)acetamide","IUCrData","2016","1","3","x160452","","10.1107/S2414314616004521","","","1.54178","CuKα","","0.0377","0.0343","","","0.0862","0.0889","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542900","9.8022","0.0006","14.9047","0.0009","12.643","0.0007","90","","90","","90","","1847.13","0.19","173","2","173.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","2-(naphthalen-1-yl)ethanol","2-(Naphthalen-1-yl)ethanol","","- C12 H12 O -","- C12 H12 O -","- C96 H96 O8 -","8","2","HB4026","Garozzo, Lee Ann; Nazarenko, Alexander Y.","2-(Naphthalen-1-yl)ethanol","IUCrData","2016","1","3","x160423","","10.1107/S2414314616004235","","","1.54178","CuKα","","0.0286","0.0282","","","0.0732","0.0735","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542901","11.7678","0.0007","13.0072","0.0007","9.9025","0.0006","90","","112.371","0.002","90","","1401.66","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","SU4020","Maheswari, R.; Manjula, J.; Gunasekaran, B.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide","IUCrData","2016","1","3","x160431","","10.1107/S2414314616004314","","","0.71073","MoKα","","0.0546","0.0421","","","0.1231","0.1362","","","","","","0.998","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542902","16.1115","0.0019","7.704","0.0009","23.873","0.003","90","","90","","90","","2963.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","SU4021","Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B.","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","IUCrData","2016","1","3","x160430","","10.1107/S2414314616004302","","","0.71073","MoKα","","0.0984","0.0501","","","0.1257","0.1547","","","","","","0.974","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542903","17.377","0.001","18.889","0.008","19.705","0.006","94.766","0.002","90.035","0.003","104.681","0.002","6233","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) <i>mer</i>-aquatris(dimethyl sulfoxide-κ<i>O</i>)(ethanol-κ<i>O</i>)[octadecatungstodiphosphato(V)-κ<i>O</i>]zincate(II)‒dimethyl sulfoxide‒ethanol‒water (2/4/2/3)","","- C38 H119 O83.5 P2 S17 W18 Zn3 -","- C38 H119 O83.5 P2 S17 W18 Zn3 -","- C76 H238 O167 P4 S34 W36 Zn6 -","2","1","XU4002","Hammami, Imen; Ghandour, Yassine; Belkhiria, Mohamed Salah","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc <i>mer</i>-aquatris(dimethyl sulfoxide-κ<i>O</i>)(ethanol-κ<i>O</i>)[octadecatungstodiphosphato(V)-κ<i>O</i>]zincate(II)‒dimethyl sulfoxide‒ethanol‒water (2/4/2/3)","IUCrData","2016","1","3","x160406","","10.1107/S2414314616004065","","","0.71073","MoKα","","0.0798","0.0506","","","0.119","0.1311","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","178352","2020-10-21","18:00:00",""
"1542931","13.1432","0.0011","13.613","0.0012","8.3381","0.0007","90","","98.495","0.004","90","","1475.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]phenol","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","SU4019","Inturi, Bharathkumar; Roopashree, K. R.; Pujar, Gurubasavaraj V.; Mohammed, Irfan Ali; Devarajegowda, H. C.","2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]phenol","IUCrData","2016","1","3","x160466","","10.1107/S2414314616004661","","","1.54178","CuKα","","0.0456","0.0391","","","0.1059","0.1125","","","","","","0.998","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542932","17.7676","0.0016","13.138","0.0013","11.4852","0.0011","90","","108.261","0.002","90","","2546","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine","","- C28 H43 N -","- C28 H43 N -","- C112 H172 N4 -","4","1","HB4027","Wang, Limin; Wang, Shengpei; Liu, Shenggao","Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine","IUCrData","2016","1","3","x160424","","10.1107/S2414314616004247","","","0.71073","MoKα","","0.1157","0.0801","","","0.2345","0.2683","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542933","14.1643","0.0007","16.7047","0.0008","24.9505","0.0012","90","","91.601","0.002","90","","5901.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]","","- C39 H72 Bi2 I9 N9 -","- C39 H72 Bi2 I9 N9 -","- C156 H288 Bi8 I36 N36 -","4","0.5","ZL4007","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]","IUCrData","2016","1","3","x160427","","10.1107/S2414314616004272","","","0.71073","MoKα","","0.0224","0.018","","","0.033","0.0339","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","179695","2020-10-21","18:00:00",""
"1542934","15.2211","0.0018","12.2037","0.0015","14.4716","0.0018","90","","98.788","0.005","90","","2656.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dimethyl cyanocarbonimidodithioate","Dimethyl <i>N</i>-cyanodithioiminocarbonate","","- C4 H6 N2 S2 -","- C4 H6 N2 S2 -","- C64 H96 N32 S32 -","16","4","","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Dimethyl <i>N</i>-cyanodithioiminocarbonate","IUCrData","2016","1","3","x160454","","10.1107/S2414314616004545","","","0.71073","MoKα","","0.1031","0.0478","","","0.0891","0.1063","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542935","20.9334","0.0017","10.2009","0.0008","9.0493","0.0007","90","","90","","90","","1932.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone","","- C22 H20 Cl2 N2 O -","- C22 H20 Cl2 N2 O -","- C88 H80 Cl8 N8 O4 -","4","1","HB4029","Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri","1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone","IUCrData","2016","1","3","x160474","","10.1107/S2414314616004740","","","0.71073","MoKα","","0.0597","0.0409","","","0.0862","0.0939","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542936","4.0105","0.0001","21.0705","0.0007","10.7451","0.0004","90","","96.323","0.002","90","","902.47","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Nitro-1-(prop-2-yn-1-yl)-1<i>H</i>-indazole","","- C10 H7 N3 O2 -","- C10 H7 N3 O2 -","- C40 H28 N12 O8 -","4","1","ZQ4005","Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","5-Nitro-1-(prop-2-yn-1-yl)-1<i>H</i>-indazole","IUCrData","2016","1","3","x160480","","10.1107/S2414314616004806","","","1.54178","CuKα","","0.0493","0.044","","","0.1198","0.1237","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542937","7.7705","0.0005","9.8189","0.0006","21.5478","0.0014","90","","90","","90","","1644.05","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide","","- C14 H19 N7 -","- C14 H19 N7 -","- C56 H76 N28 -","4","1","SJ4016","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide","IUCrData","2016","1","3","x160478","","10.1107/S2414314616004788","","","0.71073","MoKα","","0.0555","0.0364","","","0.0699","0.0761","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","179699","2020-10-21","18:00:00",""
"1542975","7.4551","0.0008","11.9212","0.0013","15.1931","0.0016","90.605","0.006","99.245","0.005","105.408","0.006","1282.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate","","- C26 H22 N8 O4 S3 -","- C26 H22 N8 O4 S3 -","- C52 H44 N16 O8 S6 -","2","1","SJ4013","Bharti, Akhilesh; Nath, Paras; Bharati, Pooja; Gupta, Sushil K.; Bharty, Manoj K.","Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate","IUCrData","2016","1","3","x160446","","10.1107/S2414314616004466","","","0.71073","MoKα","","0.0356","0.0301","","","0.0711","0.0742","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542976","14.0236","0.0003","6.9976","0.0001","25.3551","0.0005","90","","105.245","0.001","90","","2400.58","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-5-nitro-1<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","2","SJ4014","Boulhaoua, Mohammed; Abdelahi, Mohammed Mokhtar; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-5-nitro-1<i>H</i>-indazole","IUCrData","2016","1","3","x160485","","10.1107/S2414314616004855","","","1.54178","CuKα","","0.0469","0.0365","","","0.0877","0.0942","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542977","9.4106","0.0012","14.936","0.002","24.175","0.004","90","","90.29","0.002","90","","3397.9","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate","","- C34 H28 F6 Ir N4 O2 P -","- C34 H28 F6 Ir N4 O2 P -","- C136 H112 F24 Ir4 N16 O8 P4 -","4","1","TK4009","Natsumi, Yano; Yusuke, Kataoka; Tatsuya, Kawamoto; Makoto, Handa","(4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate unknown solvate","IUCrData","2016","1","3","x160487","","10.1107/S2414314616004879","","","0.71075","MoKα","","0.036","0.0321","","","0.0803","0.0828","","","","","","1.08","","","","has coordinates,has Fobs","180629","2020-10-21","18:00:00",""
"1542978","5.8594","0.0003","18.8756","0.0008","16.0649","0.0009","90","","108.13","0.004","90","","1688.56","0.15","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","FF4003","Atalay, Şehriman; Gerçeker, Semra; Eserci, Hande; Ağar, Erbil","<i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide","IUCrData","2016","1","3","x160464","","10.1107/S2414314616004648","","","0.71073","MoKα","","0.111","0.0588","","","0.1225","0.1417","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542979","11.5579","0.0005","9.9279","0.0004","12.5271","0.0005","90","","95.03","0.002","90","","1431.89","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Menthone-4-methylthiosemicarbazone","2-[(<i>E</i>)-(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]-<i>N</i>-methylhydrazine-1-carbothioamide","","- C12 H23 N3 S -","- C12 H23 N3 S -","- C48 H92 N12 S4 -","4","2","BX4002","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira","2-[(<i>E</i>)-(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]-<i>N</i>-methylhydrazine-1-carbothioamide","IUCrData","2016","1","3","x160459","","10.1107/S2414314616004594","","","0.71073","MoKα","","0.0649","0.0444","","","0.096","0.104","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542980","11.2326","0.0004","8.025","0.0003","16.3653","0.0007","90","","91.95","0.003","90","","1474.34","0.1","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl","","- C28 H44 N4 O6 Rb -","- C28 H44 N4 O6 Rb -","- C56 H88 N8 O12 Rb2 -","2","0.5","WM4010","Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F.","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl","IUCrData","2016","1","3","x160505","","10.1107/S2414314616005058","","","0.71073","MoKα","","0.0384","0.0293","","","0.0622","0.0651","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542981","19.155","0.003","10.5762","0.0014","19.495","0.003","90","","92.382","0.003","90","","3946","1","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide","","- C50 H49 N O2 -","- C50 H49 N O2 -","- C200 H196 N4 O8 -","4","1","HB4031","Ozoe, Hiroaki; Kitamura, Chitoshi; Nishida, Jun-ichi; Kawase, Takeshi","2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide","IUCrData","2016","1","3","x160473","","10.1107/S2414314616004739","","","0.71073","MoKα","","0.1644","0.0766","","","0.1814","0.2433","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542982","9.7001","0.0014","12.1805","0.0014","13.866","0.0017","75.99","0.005","89.069","0.006","87.074","0.006","1587.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide","","- C19 H14 N2 O S -","- C19 H14 N2 O S -","- C76 H56 N8 O4 S4 -","4","2","HB4032","Hanif, Muhammad; Hartinger, Christian G.; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz","<i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide","IUCrData","2016","1","3","x160471","","10.1107/S2414314616004715","","","0.71073","MoKα","","0.1242","0.0603","","","0.1626","0.2","","","","","","1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1542983","15.794","0.0012","11.1864","0.0008","24.8212","0.0018","90","","95.128","0.001","90","","4367.8","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-<i>N</i>-phenylacetamide","","- C23 H19 Cl N4 O2 S -","- C23 H19 Cl N4 O2 S -","- C184 H152 Cl8 N32 O16 S8 -","8","1","RZ4002","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-<i>N</i>-phenylacetamide","IUCrData","2016","1","3","x160453","","10.1107/S2414314616004533","","","0.71073","MoKα","","0.0605","0.0431","","","0.1093","0.1177","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1542984","10.2254","0.0003","26.6695","0.0009","9.921","0.0003","90","","110.718","0.001","90","","2530.56","0.14","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate","","- C28 H25 N3 O3 S -","- C28 H25 N3 O3 S -","- C112 H100 N12 O12 S4 -","4","1","XU4003","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate","IUCrData","2016","1","3","x160479","","10.1107/S241431461600479X","","","1.54178","CuKα","","0.0286","0.0278","","","0.0704","0.071","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543037","7.6398","0.0003","10.8372","0.0011","25.982","0.004","90","","92.478","0.005","90","","2149.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate","","- C17 H24 Cl N7 O7 Pt -","- C17 H24 Cl N7 O7 Pt -","- C68 H96 Cl4 N28 O28 Pt4 -","4","1","XU4005","Cheun, Young; Lee, Seongmin","<i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate","IUCrData","2016","1","4","x160481","","10.1107/S2414314616004818","","","1.54184","CuKα","","0.0822","0.059","","","0.1388","0.1547","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543038","14.824","0.003","8.2946","0.0017","16.924","0.003","90","","90","","90","","2081","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one","","- C27 H19 Cl N2 O -","- C27 H19 Cl N2 O -","- C108 H76 Cl4 N8 O4 -","4","1","BH4004","Raja, Rajamani; Kandhasamy, Subramani; Narayanan, Uma Maheswari; Perumal, Paramasivam T.; Dhanapal, Ramu","1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one","IUCrData","2016","1","4","x160529","","10.1107/S2414314616005290","","","0.71073","MoKα","","0.0517","0.0344","","","0.0819","0.0934","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543039","15.1498","0.0003","7.4949","0.0002","16.4795","0.0003","90","","90","","90","","1871.19","0.07","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","0.5","BT4003","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","IUCrData","2016","1","4","x160542","","10.1107/S2414314616005423","","","0.71073","MoKα","","0.0772","0.0534","","","0.1502","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543040","9.8513","0.0002","15.0619","0.0002","28.931","0.0004","90","","90","","90","","4292.76","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C192 H160 N32 O16 S8 -","8","1","SJ4017","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R.","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","IUCrData","2016","1","4","x160492","","10.1107/S2414314616004922","","","1.54178","CuKα","","0.0393","0.0339","","","0.0869","0.0909","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543041","5.9498","0.0002","8.0999","0.0002","16.3919","0.0004","85.99","0.001","81.41","0.001","82.294","0.001","773.05","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate","","- C16 H13 Cl N2 O2 S -","- C16 H13 Cl N2 O2 S -","- C32 H26 Cl2 N4 O4 S2 -","2","1","SU4024","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate","IUCrData","2016","1","4","x160531","","10.1107/S2414314616005319","","","1.54178","CuKα","","0.0408","0.0373","","","0.1018","0.1052","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543042","4.54371","0.00018","11.6697","0.0006","15.5677","0.0008","90.8429","0.0014","98.1733","0.0018","100.344","0.0011","803.11","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C30 H42 N4 O2 Pd S4 -","- C30 H42 N4 O2 Pd S4 -","- C30 H42 N4 O2 Pd S4 -","1","0.5","","Zangrando, E.; Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.","Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","IUCrData","2016","1","4","x160521","","10.1107/S2414314616005216","","","0.71075","MoKα","","","0.0214","","","","0.0567","","","","","","1.15","","","","has coordinates,has Fobs","181835","2020-10-21","18:00:00",""
"1543043","9.41","0.005","9.667","0.005","25.285","0.005","90","","90","","90","","2300.1","1.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate","","- C23 H32 Cl2 O3 S -","- C23 H32 Cl2 O3 S -","- C92 H128 Cl8 O12 S4 -","4","1","HB4024","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate","IUCrData","2016","1","4","x160422","","10.1107/S2414314616004223","","","0.71073","MoKα","","0.0369","0.03","","","0.0665","0.0687","","","","","","0.966","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543062","14.527","0.004","10.721","0.003","36.004","0.01","90","","97.459","0.003","90","","5560","3","223.15","","223.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^9^,<i>N</i>^10^-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine","","- C64 H74 N4 -","- C64 H74 N4 -","- C256 H296 N16 -","4","1","","Williams, Owen M.; Cowley, Alan H.","(4<i>Z</i>,5<i>E</i>,9<i>E</i>,10<i>Z</i>)-<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^9^,<i>N</i>^10^-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine","IUCrData","2016","1","4","x160484","","10.1107/S2414314616004843","","","0.71075","MoKα","","0.0867","0.0637","","","0.1556","0.1745","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543063","4.5205","0.0001","13.4538","0.0003","21.0436","0.0005","90","","90","","90","","1279.83","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-5-bromoindoline-2,3-dione","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","BT4004","Kharbach, Yassine; Kandri Rodi, Youssef; Renard, Catherine; Essassi, El Mokhtar; El Ammari, Lahcen","1-Benzyl-5-bromoindoline-2,3-dione","IUCrData","2016","1","4","x160559","","10.1107/S2414314616005599","","","0.71073","MoKα","","0.0321","0.0256","","","0.0563","0.0577","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543064","15.984","0.0019","4.8453","0.0003","23.071","0.003","90","","93.835","0.009","90","","1782.8","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C104 H64 N8 O4 -","4","1","","Mukherjee, Soma; Talukder, Shrabani; Stoeckli-Evans, Helen","(<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol","IUCrData","2016","1","4","x160543","","10.1107/S2414314616005435","","","0.71073","MoKα","","0.0842","0.04","","","0.0818","0.0934","","","","","","0.879","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543065","9.4796","0.0015","7.155","0.0012","13.651","0.002","90","","90.968","0.004","90","","925.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan","","- C20 H13 Br2 N O3 -","- C20 H13 Br2 N O3 -","- C40 H26 Br4 N2 O6 -","2","1","PK4003","Fang, Xiaoqin; Wang, Yifeng","(1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan","IUCrData","2016","1","4","x160515","","10.1107/S2414314616005150","","","0.71073","MoKα","","0.0518","0.0411","","","0.0885","0.0934","","","","","","0.972","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543066","9.9172","0.0005","10.001","0.0005","10.4124","0.0005","86.863","0.004","84.173","0.004","66.037","0.004","938.73","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide","","- C18 H26 Cl2 N2 O -","- C18 H26 Cl2 N2 O -","- C36 H52 Cl4 N4 O2 -","2","2","SU4028","Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; Daran, Jean-Claude; Berraho, Moha","<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide","IUCrData","2016","1","4","x160554","","10.1107/S241431461600554X","","","0.71073","MoKα","","0.0554","0.0534","","","0.1432","0.1456","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543082","5.4311","0.0005","13.6861","0.0015","27.34","0.004","90","","90","","90","","2032.2","0.4","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<i>L</i>-valine-κ<i>O</i>)lead(II) nitrate","","- C10 H26 N4 O12 Pb -","- C10 H26 N4 O12 Pb -","- C40 H104 N16 O48 Pb4 -","4","1","PJ4001","Bernès, Sylvain; Gasque, Laura","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<small>L</small>-valine-κ<i>O</i>)lead(II) nitrate at 296K","IUCrData","2016","1","4","x160539","","10.1107/S2414314616005393","","","0.71073","MoKα","","0.0617","0.0437","","","0.1042","0.116","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","182043","2020-10-21","18:00:00",""
"1543083","15.8392","0.0013","12.9075","0.001","10.3997","0.0008","90","","103.354","0.008","90","","2068.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C24 H21 N3 O S -","- C24 H21 N3 O S -","- C96 H84 N12 O4 S4 -","4","1","","Kamni; Singh, Vikram D.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","IUCrData","2016","1","4","x160587","","10.1107/S2414314616005873","","","0.71073","MoKα","","0.1203","0.0743","","","0.2092","0.2469","","","","","","1.047","","","","has coordinates,has Fobs","182044","2020-10-21","18:00:00",""
"1543084","9.8263","0.0004","7.4617","0.0002","11.9888","0.0004","90","","91.956","0.001","90","","878.52","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione","","- C20 H20 Fe O4 -","- C20 H20 Fe O4 -","- C40 H40 Fe2 O8 -","2","1","WM4012","Naier, Benjamin; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione","IUCrData","2016","1","4","x160569","","10.1107/S2414314616005691","","","0.71073","MoKα","","0.0235","0.0212","","","0.0511","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","182045","2020-10-21","18:00:00",""
"1543085","7.957","0.005","10.796","0.005","13.673","0.005","90","","90","","90","","1174.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","1","SU4023","N'Ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Chevreux, Sylviane; Berraho, Moha","(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide","IUCrData","2016","1","4","x160573","","10.1107/S2414314616005733","","","1.5418","CuKα","","0.0213","0.0209","","","0.0537","0.0541","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543086","20.6796","0.0018","5.4004","0.0004","17.2537","0.0016","90","","104.299","0.009","90","","1867.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C22 H17 N3 O2 S -","- C22 H17 N3 O2 S -","- C88 H68 N12 O8 S4 -","4","1","","Singh, Vikram D.; Kamni; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","IUCrData","2016","1","4","x160566","","10.1107/S2414314616005666","","","0.71073","MoKα","","0.0941","0.0496","","","0.1051","0.1356","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543087","6.7563","0.0001","11.2307","0.0002","11.7323","0.0003","90","","90","","90","","890.22","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-5-nitro-1<i>H</i>-indazole","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","1","TK4008","Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-5-nitro-1<i>H</i>-indazole","IUCrData","2016","1","4","x160567","","10.1107/S2414314616005678","","","1.54178","CuKα","","0.0331","0.0318","","","0.0822","0.0834","","","","","","1.139","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543088","4.2047","0.0006","34.146","0.004","13.347","0.003","90","","97.67","0.01","90","","1899.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydroxy phenyl tetradecyl ketone","1-(2,6-Dihydroxyphenyl)tetradecan-1-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","SU4030","Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen","1-(2,6-Dihydroxyphenyl)tetradecan-1-one: isolated from the fruit rinds of <i>Myristica malabarica</i>","IUCrData","2016","1","4","x160577","","10.1107/S2414314616005770","","","0.71073","MoKα","","0.1364","0.0857","","","0.1395","0.1604","","","","","","1.299","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543089","12.4764","0.0006","7.8471","0.0003","16.7265","0.0008","90","","90.478","0.002","90","","1637.53","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C84 H52 N12 O8 -","4","1","","Ezhilarasi, K. S.; Poomathi, Nataraj; Perumal, P. T.; Vasanthi, R.; Usha, G.","5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile","IUCrData","2016","1","4","x160586","","10.1107/S2414314616005861","","","0.71073","MoKα","","0.0558","0.0405","","","0.1134","0.1208","","","","","","1.57","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543090","7.4998","0.0008","13.835","0.0014","12.2324","0.0012","90","","107.474","0.004","90","","1210.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C52 H40 N8 O20 -","4","1","FF4005","Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.","5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2016","1","4","x160527","","10.1107/S2414314616005277","","","0.71073","MoKα","","0.1032","0.0557","","","0.1415","0.1757","","","","","","1.011","","","","has coordinates,has Fobs","182051","2020-10-21","18:00:00",""
"1543091","10.2688","0.0004","10.5322","0.0004","11.2934","0.0004","111.72","0.002","93.883","0.002","91.653","0.003","1130.18","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C30 H19 N3 O -","- C30 H19 N3 O -","- C60 H38 N6 O2 -","2","1","SU4022","Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A.","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2016","1","4","x160526","","10.1107/S2414314616005265","","","0.71073","MoKα","","0.0588","0.0389","","","0.0952","0.1287","","","","","","0.742","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543125","13.217","0.01","9.831","0.007","13.627","0.009","90","","90","","90","","1771","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Hydroxy-4-(hydroxymethyl)-2-oxo-2<i>H</i>-chromene","","- C10 H8 O4 -","- C10 H8 O4 -","- C80 H64 O32 -","8","1","SJ4022","Bai, Jun-Hua; Dong, Jin-Long","7-Hydroxy-4-(hydroxymethyl)coumarin","IUCrData","2016","1","4","x160598","","10.1107/S2414314616005988","","","0.71073","MoKα","","0.0435","0.0333","","","0.0714","0.0781","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543126","8.755","0.005","9.533","0.005","10.897","0.005","91.324","0.005","90.517","0.005","103.216","0.005","885.1","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","Dibromonitrotoluene","1,3-Dibromo-2-methyl-5-nitrobenzene","","- C7 H5 Br2 N O2 -","- C7 H5 Br2 N O2 -","- C28 H20 Br8 N4 O8 -","4","2","","Medjroubi, Mohamed Larbi; Jeannin, Olivier; Fourmigué, Marc; Boudjada, Ali; Meinnel, Jean","Dibromonitrotoluene","IUCrData","2016","1","4","x160621","","10.1107/S2414314616006210","","","0.71069","MoKα","","0.0419","0.0294","","0.0602","0.0554","0.0528","","","","","","0.8477","","","","has coordinates,has Fobs","182159","2020-10-21","18:00:00",""
"1543127","10.5765","0.0002","11.8088","0.0002","39.1512","0.0007","90","","92.618","0.001","90","","4884.72","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-<i>N</i>-(4-methylpyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H20 N4 O3 S -","- C15 H20 N4 O3 S -","- C180 H240 N48 O36 S12 -","12","3","HB4037","Hossain, G. M. Golzar","Sulfamerazine tetrahydrofuran monosolvate","IUCrData","2016","1","4","x160596","","10.1107/S2414314616005964","","","0.71073","MoKα","","0.1262","0.0628","","","0.1413","0.1691","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543128","4.4793","0.0002","10.3596","0.0005","21.5724","0.0011","90","","90","","90","","1001.04","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","1","ZP4004","Hakmaoui, Yassine; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","IUCrData","2016","1","4","x160588","","10.1107/S2414314616005885","","","0.71073","MoKα","","0.0434","0.0372","","","0.0961","0.1002","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543129","7.6842","0.0007","8.1013","0.0006","22.0669","0.0016","90","","90.893","0.003","90","","1373.54","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminobenzoic acid–quinoline (1/1)","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HB4033","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","4-Aminobenzoic acid–quinoline (1/1)","IUCrData","2016","1","4","x160604","","10.1107/S2414314616006040","","","0.71073","MoKα","","0.0779","0.0443","","","0.0979","0.1166","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543130","4.4666","0.0002","12.9169","0.0006","16.3857","0.0008","90","","90","","90","","945.37","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Propyl-1<i>H</i>-indole-2,3-dione","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","SJ4024","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-Propyl-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160609","","10.1107/S241431461600609X","","","0.71073","MoKα","","0.0442","0.0379","","","0.0856","0.0891","","","","","","1.255","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543131","10.1721","0.0003","11.2475","0.0003","12.0154","0.0004","79.638","0.002","82.454","0.002","82.371","0.002","1332.14","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-nitrophenyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","","- C28 H21 Br N4 O4 S -","- C28 H21 Br N4 O4 S -","- C56 H42 Br2 N8 O8 S2 -","2","1","HG4002","AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-nitrophenyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","IUCrData","2016","1","4","x160597","","10.1107/S2414314616005976","","","0.71073","MoKα","","0.089","0.0594","","","0.1534","0.1861","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543132","7.7113","0.0002","8.1375","0.0002","17.8089","0.0004","90","","93.83","0.0013","90","","1115.03","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Bromopropyl)indoline-2,3-dione","","- C11 H10 Br N O2 -","- C11 H10 Br N O2 -","- C44 H40 Br4 N4 O8 -","4","1","HB4036","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-(3-Bromopropyl)indoline-2,3-dione","IUCrData","2016","1","4","x160593","","10.1107/S2414314616005939","","","0.71073","MoKα","","0.0801","0.0547","","","0.1417","0.1575","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543133","15.579","0.003","16.799","0.004","17.332","0.004","72.622","0.002","73.116","0.002","84.324","0.002","4142","1.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-\ terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent","","- C50 H36 N2 -","- C50 H36 N2 -","- C200 H144 N8 -","4","2","","Zhu, Liqiong; Zhao, Yan","(1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent","IUCrData","2016","1","4","x160594","","10.1107/S2414314616005940","","","0.71073","MoKα","","0.1653","0.065","","","0.1296","0.144","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543143","10.0293","0.0009","18.123","0.0017","10.7973","0.001","90","","97.475","0.006","90","","1945.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane","","- C19 H29 B O3 -","- C19 H29 B O3 -","- C76 H116 B4 O12 -","4","1","XU4004","Li, Kai-Xiao; Wang, Xiao-Juan","4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane","IUCrData","2016","1","4","x160611","","10.1107/S2414314616006118","","","0.71073","MoKα","","0.0882","0.0517","","","0.1473","0.1681","","","","","","1.094","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543144","5.0643","0.0003","12.8006","0.0007","20.554","0.0011","90","","91.076","0.002","90","","1332.2","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C48 H36 Br8 N4 O8 S4 -","4","1","ZQ4006","Rodrigues, Vinola Z.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide","IUCrData","2016","1","4","x160631","","10.1107/S2414314616006313","","","1.54178","CuKα","","0.0619","0.0613","","","0.1797","0.1811","","","","","","1.156","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543145","7.7265","0.0002","13.4792","0.0004","14.5827","0.0003","90","","96.073","0.001","90","","1510.22","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate","","- C13 H17 B F4 N2 O2 -","- C13 H17 B F4 N2 O2 -","- C52 H68 B4 F16 N8 O8 -","4","1","BG4001","Bouzid, Mouna; Hrizi, Chakib; Kammoun, Majed","1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate","IUCrData","2016","1","4","x160619","","10.1107/S2414314616006192","","","0.71073","MoKα","","0.0938","0.068","","","0.2189","0.244","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543146","11.64797","0.00017","12.20869","0.00017","25.7274","0.0004","90","","90","","90","","3658.6","0.09","294","1","294","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate","","- C37.8 H59.2 O6 -","- C37.8 H59.2 O6 -","- C151.2 H236.8 O24 -","4","1","ZP4003","Hernández Linares, María-Guadalupe; Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Bernès, Sylvain; Aguirre Hernández, Gerardo","(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate","IUCrData","2016","1","4","x160622","","10.1107/S2414314616006222","","","1.54184","CuKα","","0.0469","0.0397","","","0.1","0.1061","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","182211","2020-10-21","18:00:00",""
"1543165","8.2585","0.0002","7.2677","0.0001","44.4667","0.0008","90","","90","","90","","2668.9","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","SU4035","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160633","","10.1107/S2414314616006337","","","0.71073","MoKα","","0.0843","0.0471","","","0.11","0.1268","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543166","9.7478","0.0003","25.2229","0.0008","8.6354","0.0002","90","","101.733","0.002","90","","2078.8","0.1","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(±)-3-<i>tert</i>-Butyl-4-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>e</i>][1,4]thiazepin-7(4<i>H</i>,6<i>H</i>,8<i>H</i>)-one","","","- C22 H22 Cl N3 O S -","- C22 H22 Cl N3 O S -","- C88 H88 Cl4 N12 O4 S4 -","4","1","HG4005","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Tenorio, Juan C.; Ellena, Javier","3-<i>tert</i>-Butyl-4-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>e</i>][1,4]thiazepin-7(4<i>H</i>,6<i>H</i>,8<i>H</i>)-one","IUCrData","2016","1","4","x160608","","10.1107/S2414314616006088","","","0.71073","MoKα","","0.108","0.0483","","","0.1037","0.1146","","","","","","0.945","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543167","9.5461","0.0005","11.8724","0.0006","15.9962","0.0008","90","","90.104","0.002","90","","1812.93","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","2","SJ4025","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.","<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide: a redetermination","IUCrData","2016","1","4","x160662","","10.1107/S2414314616006623","","","1.54178","CuKα","","0.0506","0.0423","","","0.1027","0.1085","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543168","8.5765","0.0002","9.8469","0.0002","10.2677","0.0002","78.903","0.001","79.552","0.001","68.655","0.001","786.65","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate","","- C18 H12 O6 -","- C18 H12 O6 -","- C36 H24 O12 -","2","1","ZP4005","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate","IUCrData","2016","1","4","x160629","","10.1107/S2414314616006295","","","0.71073","MoKα","","0.032","0.0298","","","0.0809","0.0823","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543169","10.5993","0.0003","9.7641","0.0003","12.4435","0.0004","90","","109.065","0.001","90","","1217.17","0.06","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C12 H19 N3 -","- C12 H19 N3 -","- C48 H76 N12 -","4","1","","Zhao, Ningfeng; Akwataghibe, Kelechi; Pompilius, Arielle; Shelly, Everett","3,5-Di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-4-carbonitrile","IUCrData","2016","1","4","x160673","","10.1107/S2414314616006738","","","1.54178","CuKα","","0.0386","0.0366","","","0.0942","0.0958","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","182309","2020-10-21","18:00:00",""
"1543170","29.063","0.002","9.9393","0.0006","25.645","0.003","90","","121.609","0.003","90","","6309","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)]","","- C50 H62 Cl8 Fe2 N2 Na2 O7 S8 -","- C50 H62 Cl8 Fe2 N2 Na2 O7 S8 -","- C200 H248 Cl32 Fe8 N8 Na8 O28 S32 -","4","0.5","BH4005","Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)]","IUCrData","2016","1","4","x160643","","10.1107/S241431461600643X","","","0.71073","MoKα","","0.1076","0.0622","","","0.1447","0.1691","","","","","","1.036","","","","has coordinates,has Fobs","182310","2020-10-21","18:00:00",""
"1543171","5.7634","0.0002","8.2218","0.0002","12.0915","0.0003","105.541","0.0014","102.539","0.0016","97.4291","0.0014","528.03","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one","","- C12 H14 O2 -","- C12 H14 O2 -","- C24 H28 O4 -","2","1","","Kamalini, G. Joseline Sheeba; Sugaraj, Samuel R.; Reuben Jonathan, D.; Revathi, B. K.; Usha, G.","(<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one","IUCrData","2016","1","4","x160610","","10.1107/S2414314616006106","","","0.71073","MoKα","","0.0461","0.0391","","","0.1129","0.121","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543172","8.8388","0.0003","17.7686","0.0006","16.9487","0.0006","90","","94.159","0.002","90","","2654.84","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-<i>b</i>]pyridine-5-carboxylate","","- C30 H24 Cl N3 O4 S -","- C30 H24 Cl N3 O4 S -","- C120 H96 Cl4 N12 O16 S4 -","4","1","SU4032","Bakhite, Etify A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Al-Taifi, Elham A.","Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-<i>b</i>]pyridine-5-carboxylate","IUCrData","2016","1","4","x160657","","10.1107/S241431461600657X","","","1.54178","CuKα","","0.0456","0.037","","","0.0884","0.0935","","","","","","1.022","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543173","8.9885","0.0013","15.43","0.002","11.4182","0.0016","90","","91.806","0.002","90","","1582.8","0.4","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[[bis(pyridin-2-yl-κ<i>N</i>)amine]zinc(II)]-μ~2~-(2<i>E</i>,4<i>E</i>)-hexa-2,4-dienedioato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","","- C16 H15 N3 O5 Zn -","- C16 H15 N3 O5 Zn -","- C64 H60 N12 O20 Zn4 -","4","1","LH4006","Lee, Do Nam; Kim, Youngmee","<i>catena</i>-Poly[[[[bis(pyridin-2-yl-κ<i>N</i>)amine]zinc(II)]-μ~2~-(2<i>E</i>,4<i>E</i>)-hexa-2,4-dienedioato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","IUCrData","2016","1","4","x160636","","10.1107/S2414314616006362","","","0.71073","MoKα","","0.043","0.0343","","","0.0819","0.0834","","","","","","0.909","","","","has coordinates,has Fobs","182313","2020-10-21","18:00:00",""
"1543174","10.733","0.0004","16.0616","0.0006","20.9885","0.0008","96.662","0.002","102.673","0.001","98.067","0.001","3454.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>'-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate","","- C48 H42 Cl2 N10 O5 S2 -","- C48 H42 Cl2 N10 O5 S2 -","- C144 H126 Cl6 N30 O15 S6 -","3","1.5","SJ4023","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","<i>N</i>'-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate","IUCrData","2016","1","4","x160627","","10.1107/S2414314616006271","","","1.54178","CuKα","","0.0523","0.0402","","","0.1059","0.1146","","","","","","1.018","","","","has coordinates,has Fobs","182314","2020-10-21","18:00:00",""
"1543175","5.985","0.0003","21.0709","0.001","11.5617","0.0005","90","","100.423","0.002","90","","1433.98","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C16 H12 N4 O S -","- C16 H12 N4 O S -","- C64 H48 N16 O4 S4 -","4","1","SU4033","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","IUCrData","2016","1","4","x160626","","10.1107/S241431461600626X","","","1.54178","CuKα","","0.0407","0.0351","","","0.0856","0.0889","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543176","16.5042","0.0004","9.6896","0.0003","18.1221","0.0005","90","","90","","90","","2898.07","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2016","1","4","x160661","","10.1107/S2414314616006611","","","0.71073","MoKα","","0.0659","0.0483","","","0.1308","0.1458","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543177","12.4817","0.0006","12.3107","0.0006","8.5737","0.0004","90","","94.276","0.001","90","","1313.75","0.11","100.1","0.1","100.1","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-Benzylcinnamamide","<i>N</i>-Benzyl-3-phenylprop-2-enamide","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies","<i>N</i>-Benzylcinnamamide","IUCrData","2016","1","4","x160647","","10.1107/S2414314616006477","","","0.71073","MoKα","","0.04","0.0376","","","0.0958","0.0977","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543178","7.2562","0.0002","16.4818","0.0005","18.0306","0.0006","90","","95.149","0.002","90","","2147.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one","","- C27 H24 Cl N O -","- C27 H24 Cl N O -","- C108 H96 Cl4 N4 O4 -","4","1","BT4005","Venkatachalam, M.; Srinivasan, N.; Krishnakumar, R. V.; Chitra, S.; Manisankar, P.","2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one","IUCrData","2016","1","4","x160644","","10.1107/S2414314616006441","","","0.71073","MoKα","","0.0734","0.0453","","","0.1087","0.1241","","","","","","1.035","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543179","7.2363","0.0002","24.26","0.0007","12.9049","0.0004","90","","105.603","0.001","90","","2182","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate","Piperidin-1-ium [4-(4-chlorophenyl)-3-cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanide","","- C21 H24 Cl N3 O2 S -","- C21 H24 Cl N3 O2 S -","- C84 H96 Cl4 N12 O8 S4 -","4","1","XU4007","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Bakhite, Etify A.; Albayati, Mustafa R.","Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate","IUCrData","2016","1","4","x160651","","10.1107/S2414314616006519","","","1.54178","CuKα","","0.0396","0.0364","","","0.0948","0.0974","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543180","26.289","0.005","15.132","0.005","7.403","0.005","90","","95.179","0.005","90","","2933","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium","","","- C16 H13 N3 O3 S -","- C16 H13 N3 O3 S -","- C128 H104 N24 O24 S8 -","8","2","XU4006","Benosmane, A.; Rouag, D. A.; Mili, A.; Merazig, H.; Benaouida, M. A.","(4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium","IUCrData","2016","1","4","x160658","","10.1107/S2414314616006581","","","0.71073","MoKα","","0.0878","0.0488","","","0.1068","0.1241","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543224","8.2745","0.0008","6.0367","0.0006","14.8609","0.0014","90","","104.746","0.005","90","","717.86","0.12","120","2","120.06","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-1<i>H</i>-indole-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C32 H16 Cl4 N4 O8 -","4","2","SJ4026","Juma, Rashid M.; Golen, James A.; Manke, David R.","4-Chloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160689","","10.1107/S2414314616006891","","","1.54178","CuKα","","0.0423","0.0379","","","0.0923","0.0959","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543225","5.8932","0.0009","7.1714","0.0009","27.347","0.004","90","","90","","90","","1155.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol","","- C11 H20 O3 -","- C11 H20 O3 -","- C44 H80 O12 -","4","1","","von Kiedrowski, Valeska; Quentin, Florian; Golz, Christopher; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol","IUCrData","2016","1","4","x160697","","10.1107/S2414314616006970","","","1.54178","CuKα","","0.0309","0.0305","","","0.0792","0.0796","","","","","","1.095","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543226","7.5429","0.0004","21.4003","0.0016","9.7773","0.0006","90","","112.325","0.003","90","","1459.96","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido{(<i>E</i>)-1-[(2-methoxyphenyl)diazenyl]naphthalen-2-olato}palladium(II)","","- C17 H13 Cl N2 O2 Pd -","- C17 H13 Cl N2 O2 Pd -","- C68 H52 Cl4 N8 O8 Pd4 -","4","1","SU4039","Mili, Assia; Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bailly, Corinne","Chlorido{(<i>E</i>)-1-[(2-methoxyphenyl)diazenyl]naphthalen-2-olato}palladium(II)","IUCrData","2016","1","4","x160691","","10.1107/S241431461600691X","","","0.71073","MoKα","","0.1117","0.0535","","","0.1053","0.1271","","","","","","1.026","","","","has coordinates,has Fobs","182425","2020-10-21","18:00:00",""
"1543227","8.8711","0.0007","8.6175","0.0006","23.698","0.002","90","","99.672","0.004","90","","1785.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","SU4026","Vimala, G.; Krishnan, S. Maya; Perumal, P. T.; SubbiahPandi, A.","5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione","IUCrData","2016","1","4","x160688","","10.1107/S241431461600688X","","","0.71073","MoKα","","0.0558","0.0433","","","0.1317","0.1479","","","","","","1.083","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543228","17.17","0.06","4.267","0.013","20.22","0.06","90","","108.45","0.04","90","","1405","8","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,6-Tribromo-9-ethyl-9<i>H</i>-carbazole","","- C14 H10 Br3 N -","- C14 H10 Br3 N -","- C56 H40 Br12 N4 -","4","1","","Bezuglyi, Mkola; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas","1,3,6-Tribromo-9-ethyl-9<i>H</i>-carbazole","IUCrData","2016","1","4","x160708","","10.1107/S2414314616007082","","","0.71075","MoKα","","","0.0843","","","","0.2493","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543229","6.4152","0.0012","7.5089","0.0012","8.9546","0.0015","110.162","0.007","96.12","0.008","91.997","0.008","401.43","0.12","200","2","200.15","","","","","","","","","5","P -1","-P 1","2","","6-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C16 H8 I2 N2 O4 -","2","1","","Golen, James A.; Manke, David R.","6-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160700","","10.1107/S2414314616007008","","","0.71073","MoKα","","0.0228","0.02","","","0.0428","0.0437","","","","","","1.129","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543230","5.7058","0.0001","10.6201","0.0002","18.8688","0.0004","90","","90","","90","","1143.38","0.04","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","","- C10 H9 F N4 O S -","- C10 H9 F N4 O S -","- C40 H36 F4 N16 O4 S4 -","4","1","IS4006","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","IUCrData","2016","1","4","x160659","","10.1107/S2414314616006593","","","0.71073","MoKα","","0.0292","0.0266","","","0.0675","0.0692","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543231","10.8316","0.0014","8.7542","0.0011","17.959","0.002","90","","106.322","0.005","90","","1634.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene","1-[6-Acetyl-4,7-dimethyl-2-(propan-2-yl)naphthalen-1-yl]ethanone","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","BT4006","Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene","IUCrData","2016","1","4","x160703","","10.1107/S2414314616007033","","","0.71073","MoKα","","0.0593","0.0471","","","0.1262","0.1394","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543232","10.3848","0.0003","10.4306","0.0003","14.4513","0.0004","69.394","0.001","72.388","0.001","70.871","0.001","1352.92","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2-(4-Chlorophenyl)-15-hydroxy-4-methyl-4,18-diazaoctacyclo[14.11.1.1^6,10^.0^1,5^.0^5,15^.0^17,26^.0^19,24^.0^14,29^]nonacosa-6,8,10(29),11,13,17,19(24),20,22,25-decaen-27-one methanol hemisolvate","15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro- 7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one methanol hemisolvate","","- C34.5 H26.5 Cl N2 O2.5 -","- C34.5 H26.5 Cl N2 O2.5 -","- C69 H53 Cl2 N4 O5 -","2","1","SU4031","Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan","15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one methanol hemisolvate","IUCrData","2016","1","4","x160637","","10.1107/S2414314616006374","","","0.71073","MoKα","","0.0632","0.0519","","","0.1644","0.1781","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543233","5.6231","0.0006","4.993","0.0006","12.5145","0.0014","90","","91.916","0.007","90","","351.16","0.07","120","2","120.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-Chloro-1<i>H</i>-indole-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C16 H8 Cl2 N2 O4 -","2","1","SU4040","Golen, James A.; Manke, David R.","6-Chloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160690","","10.1107/S2414314616006908","","","1.54178","CuKα","","0.0342","0.0305","","","0.0681","0.0701","","","","","","1.124","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543234","15.0422","0.0012","5.6323","0.0005","17.1019","0.0015","90","","102.48","0.002","90","","1414.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazole","","- C16 H13 Cl N2 S -","- C16 H13 Cl N2 S -","- C64 H52 Cl4 N8 S4 -","4","1","","Suresh, Ganesan; Muniraj, Sarangapani","3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazole","IUCrData","2016","1","4","x160679","","10.1107/S2414314616006799","","","0.71073","MoKα","","0.0834","0.0577","","","0.1152","0.13","","","","","","1.124","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543253","8.9612","0.0003","5.0796","0.0002","12.5535","0.0004","90","","102.438","0.001","90","","558.02","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Benzimidazolium <i>L</i>-aspartate","1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium 2-azaniumylsuccinate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C22 H26 N6 O8 -","2","1","SU4038","Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G.","Benzimidazolium <small>L</small>-aspartate","IUCrData","2016","1","5","x160677","","10.1107/S2414314616006775","","","0.71073","MoKα","","0.0299","0.0278","","","0.0709","0.0729","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543254","8.6253","0.0019","7.125","0.0016","26.289","0.006","90","","90","","90","","1615.6","0.6","120","2","120.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C64 H24 Cl16 N8 O16 -","8","1","HB4042","Mastrolia, Ronald J.; Golen, James A.; Manke, David R.","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","5","x160695","","10.1107/S2414314616006957","","","1.54178","CuKα","","0.0398","0.0381","","","0.0966","0.0977","","","","","","1.1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543255","11.2908","0.001","13.8516","0.0014","14.6956","0.0017","104.477","0.008","96.359","0.008","111.675","0.007","2014.6","0.4","296","1","296","1","","","","","","","","7","P -1","-P 1","2","","Bis(pentafluorobenzenethiolato-κ<i>S</i>){(pentafluorophenyl)phenyl[3,4,5,6-tetrafluoro-2-(pentafluorophenylsulfanyl)phenyl]phosphane-κ^2^<i>P</i>,<i>S</i>}platinum(II) dichloromethane hemisolvate","","- C36.5 H6 Cl F24 P Pt S3 -","- C36.5 H6 Cl F24 P Pt S3 -","- C73 H12 Cl2 F48 P2 Pt2 S6 -","2","1","FF4006","Bernès, Sylvain; Torrens, Hugo","Bis(pentafluorobenzenethiolato-κ<i>S</i>){(pentafluorophenyl)phenyl[3,4,5,6-tetrafluoro-2-(pentafluorophenylsulfanyl)phenyl]phosphane-κ^2^<i>P</i>,<i>S</i>}platinum(II) dichloromethane hemisolvate","IUCrData","2016","1","5","x160696","","10.1107/S2414314616006969","","","0.71073","MoKα","","0.0521","0.0368","","","0.0824","0.089","","","","","","1.023","","","","has coordinates,has Fobs","182572","2020-10-21","18:00:00",""
"1543256","11.8562","0.0003","7.1984","0.0002","25.4331","0.0005","90","","101.045","0.001","90","","2130.4","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 13-(4-chlorophenyl)-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetraazatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,10,12-pentaene-12-carboxylate","","- C24 H17 Cl N4 O3 S -","- C24 H17 Cl N4 O3 S -","- C96 H68 Cl4 N16 O12 S4 -","4","1","TK4011","Al-Taifi, Elham A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.","Ethyl 13-(4-chlorophenyl)-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetraazatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,10,12-pentaene-12-carboxylate","IUCrData","2016","1","5","x160701","","10.1107/S241431461600701X","","","1.54178","CuKα","","0.0335","0.0313","","","0.0812","0.0832","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543257","9.87","0.007","10.624","0.008","11.319","0.007","74.34","0.02","81.35","0.02","68.246","0.019","1059.8","1.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(trimethylsilylamido)-6-(trimethylsilylamino)pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(diethyl ether-κ<i>O</i>)lithium(I)]","","- C30 H64 Li2 N6 O2 Si4 -","- C30 H64 Li2 N6 O2 Si4 -","- C30 H64 Li2 N6 O2 Si4 -","1","0.5","BH4003","Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L.","Bis[μ-2-(trimethylsilylamido)-6-(trimethylsilylamino)pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(diethyl ether-κ<i>O</i>)lithium(I)]","IUCrData","2016","1","5","x160707","","10.1107/S2414314616007070","","","0.71073","MoKα","","0.1087","0.0592","","","0.1249","0.1575","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543274","29.889","0.002","4.8479","0.0003","20.0427","0.0016","90","","104.337","0.002","90","","2813.7","0.3","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone","","- C17 H13 Br O4 -","- C17 H13 Br O4 -","- C136 H104 Br8 O32 -","8","1","PK4005","Ohira, Natsumi; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone","IUCrData","2016","1","5","x160753","","10.1107/S2414314616007537","","","0.71073","MoKα","","0.0411","0.03","","","0.0742","0.0803","","","","","","1.102","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543275","14.1096","0.0006","14.1096","0.0006","24.6537","0.0011","90","","90","","90","","4908.1","0.4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-Amino-6-methylpyridinium 2-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C208 H224 N32 O48 -","16","1","BT4008","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-6-methylpyridinium 2-hydroxybenzoate","IUCrData","2016","1","5","x160747","","10.1107/S2414314616007471","","","0.71073","MoKα","","0.1063","0.0546","","","0.1401","0.191","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543276","6.3268","0.0008","7.2868","0.001","28.272","0.004","90","","90","","90","","1303.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","HB4039","Pereira Almeida, Wanda; Paes Koury, Isabela; de Simoni, Deborah","<i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate","IUCrData","2016","1","5","x160752","","10.1107/S2414314616007525","","","0.71073","MoKα","","0.0315","0.0298","","","0.0779","0.0788","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543277","14.6503","0.0006","9.6974","0.0003","15.2946","0.0007","90","","93.284","0.002","90","","2169.33","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C27 H18 Br N3 O2 -","- C27 H18 Br N3 O2 -","- C108 H72 Br4 N12 O8 -","4","1","SU4044","Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A.","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2016","1","5","x160724","","10.1107/S2414314616007240","","","0.71073","MoKα","","0.0692","0.0353","","","0.1025","0.1386","","","","","","0.78","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543278","30.1064","0.0012","17.5911","0.0007","13.7937","0.0008","90","","92.613","0.004","90","","7297.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C336 H336 N48 O72 -","24","3","SJ4030","Rahmouni, Samra; Djedouani, Amel; Touzani, Rachid; Fleutot, Solenne; Bendaas, Abderrahmen","(<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one","IUCrData","2016","1","5","x160729","","10.1107/S241431461600729X","","","0.71073","MoKα","","0.0867","0.0482","","","0.109","0.1253","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543279","6.1422","0.0014","18.117","0.004","11.061","0.002","90","","98.896","0.008","90","","1216","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)ethanediamide","","- C11 H13 Cl N2 O4 -","- C11 H13 Cl N2 O4 -","- C44 H52 Cl4 N8 O16 -","4","1","SJ4028","Wang, Chang-Kai; Zheng, Kang; Li, Yan-Tuan; Wu, Zhi-Yong","<i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)oxalamide","IUCrData","2016","1","5","x160737","","10.1107/S2414314616007379","","","0.71073","MoKα","","0.1042","0.0471","","","0.0889","0.1065","","","","","","0.996","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543280","9.6524","0.0017","10.1168","0.0017","16.655","0.003","101.299","0.008","106.315","0.009","95.628","0.008","1510.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","2","BT4007","Elaatiaoui, Abdelmalik; Elkalai, Fouad; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen","(<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine","IUCrData","2016","1","5","x160723","","10.1107/S2414314616007239","","","0.71073","MoKα","","0.0742","0.0436","","","0.1068","0.1247","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543318","11.8931","0.0011","6.5358","0.0006","22.817","0.002","90","","93.239","0.001","90","","1770.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-4-Benzyl-[(4-chlorophenyl)methylidene]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C88 H64 Cl4 N4 O4 S4 -","4","1","TK4010","Ellouz, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Ouzidan, Younes; Mague, Joel T.; Zouihri, Hafid","4-Benzyl-2-(4-chlorobenzylidene)-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2016","1","5","x160764","","10.1107/S2414314616007641","","","0.71073","MoKα","","0.0552","0.0437","","","0.1278","0.1321","","","","","","1.12","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543319","14.6923","0.0008","6.1988","0.0003","16.2254","0.0008","90","","92.911","0.001","90","","1475.82","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate","","- C16 H14 Br N3 O2 -","- C16 H14 Br N3 O2 -","- C64 H56 Br4 N12 O8 -","4","1","BT4010","Hjouji, Mohammed Yassin; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate","IUCrData","2016","1","5","x160771","","10.1107/S2414314616007719","","","0.71073","MoKα","","0.0414","0.0307","","","0.0781","0.0814","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543320","12.1163","0.0002","9.7911","0.0002","20.9428","0.0004","90","","90","","90","","2484.48","0.08","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C13 H9 Br Cl N3 -","- C13 H9 Br Cl N3 -","- C104 H72 Br8 Cl8 N24 -","8","1","BT4009","Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160763","","10.1107/S241431461600763X","","","1.54178","CuKα","","0.0319","0.0261","","","0.0661","0.0694","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543333","5.6514","0.0016","21.22","0.007","7.381","0.002","90","","96.473","0.017","90","","879.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde","","- C10 H6 N2 O S -","- C10 H6 N2 O S -","- C40 H24 N8 O4 S4 -","4","1","SU4045","Yallur, Basappa; Krishna, P. Murali; Hosamani, Amar A.","Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde","IUCrData","2016","1","5","x160778","","10.1107/S2414314616007781","","","0.71073","MoKα","","0.1921","0.0581","","","0.1085","0.1504","","","","","","0.911","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543342","11.0395","0.0012","6.4734","0.0007","11.1397","0.0012","90","","98.889","0.001","90","","786.52","0.15","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C7 H6 Br N3 -","- C7 H6 Br N3 -","- C28 H24 Br4 N12 -","4","1","HB4043","Bouayad, Kaoutar; Kandri Rodi, Youssef; El Ghadraoui, El Houcine; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160766","","10.1107/S2414314616007665","","","0.71073","MoKα","","0.0524","0.0348","","","0.0842","0.0901","","","","","","0.994","","","","has coordinates,has Fobs","183058","2020-10-21","18:00:00",""
"1543343","25.755","0.007","6.5962","0.0016","14.503","0.004","90","","116.935","0.005","90","","2196.6","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)(phenyl)methanone","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Wang, Fengzhen; Peng, Songsong; Yue, Mingbo; Zhu, Ruitao","(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)(phenyl)methanone","IUCrData","2016","1","5","x160785","","10.1107/S2414314616007859","","","0.71073","MoKα","","0.0818","0.048","","","0.1019","0.1165","","","","","","1.013","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543344","9.8364","0.0008","5.9731","0.0005","17.0805","0.0015","90","","98.152","0.005","90","","993.4","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Carboxy-2-(piperidin-1-ium-1-yl)propanoate","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C36 H60 N4 O16 -","4","1","SJ4031","Sudhahar, S.; Sankaranarayanan, K.; Ravi, G.; Kumar, R. Mohan; Chakkaravarthi, G.","3-Carboxy-2-(piperidin-1-ium-1-yl)propanoate","IUCrData","2016","1","5","x160748","","10.1107/S2414314616007483","","","0.71073","MoKα","","0.1042","0.0566","","","0.1381","0.1716","","","","","","1.044","","","","has coordinates,has Fobs","183060","2020-10-21","18:00:00",""
"1543345","6.3283","0.0001","19.6204","0.0004","10.1245","0.0002","90","","105.746","0.001","90","","1209.92","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","HB4045","Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T.","5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide","IUCrData","2016","1","5","x160793","","10.1107/S2414314616007938","","","1.54178","CuKα","","0.0399","0.0355","","","0.0872","0.0909","","","","","","1.049","","","","has coordinates,has Fobs","183061","2020-10-21","18:00:00",""
"1543346","14.5487","0.0009","10.1675","0.0006","10.4269","0.0006","90","","100.104","0.0017","90","","1518.47","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","El-Gokha, Ahmed; Schollmeyer, Dieter; Koch, Pierre","4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine","IUCrData","2016","1","5","x160804","","10.1107/S241431461600804X","","","0.71069","MoKα","","0.0463","0.0418","","","0.1137","0.1216","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543347","5.83624","0.00017","8.4245","0.0003","17.0381","0.0005","90","","90","","90","","837.72","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>D</i>-(-)-2-Azaniumyl-2-(4-hydroxyphenyl)acetate","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","SJ4032","Zhang, Xiaohui; Yu, Yuzhen; Li, Zhanjun; Li, Wen","<small>D</small>-({-})-2-Azaniumyl-2-(4-hydroxyphenyl)acetate: an orthorhombic polymorph","IUCrData","2016","1","5","x160768","","10.1107/S2414314616007689","","","1.54184","CuKα","","0.0356","0.0333","","","0.0941","0.096","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543348","7.1355","0.0007","7.4786","0.0008","14.8254","0.0018","99.626","0.009","91.602","0.009","105.02","0.008","751.23","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one","","- C17 H11 F3 N2 O2 -","- C17 H11 F3 N2 O2 -","- C34 H22 F6 N4 O4 -","2","1","HB4046","Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Alaman Ağar, Ayşen","2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one","IUCrData","2016","1","5","x160797","","10.1107/S2414314616007975","","","0.71073","MoKα","","0.0938","0.0487","","","0.1241","0.1405","","","","","","1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543349","4.8428","0.0002","31.7181","0.0014","10.7171","0.0005","90","","101.206","0.002","90","","1614.81","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-nonylindoline-2,3-dione","","- C17 H22 Br N O2 -","- C17 H22 Br N O2 -","- C68 H88 Br4 N4 O8 -","4","1","SU4049","Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen","5-Bromo-1-nonylindoline-2,3-dione","IUCrData","2016","1","5","x160791","","10.1107/S2414314616007914","","","0.71073","MoKα","","0.0323","0.0262","","","0.0588","0.0608","","","","","","1.103","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543350","18.0701","0.0008","16.2611","0.0007","9.0801","0.0004","90","","97.645","0.002","90","","2644.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(diethylamino)-2-(prop-2-ynyl)spiro[isoindoline-1,9'-xanthen]-3-one","","- C31 H33 N3 O2 -","- C31 H33 N3 O2 -","- C124 H132 N12 O8 -","4","1","SU4041","Naaz, Y. Aamina; Savithri, Jothinathan Sathiya; Rajakumar, Perumal; SubbiahPandi, A.","3',6'-Bis(diethylamino)-2-(prop-2-ynyl)spiro[isoindoline-1,9'-xanthen]-3-one","IUCrData","2016","1","5","x160772","","10.1107/S2414314616007720","","","0.71073","MoKα","","0.0839","0.0533","","","0.1219","0.1533","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:46",""
"1543351","19.2938","0.0015","7.8839","0.0006","19.6969","0.0017","90","","109.639","0.005","90","","2821.8","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ-diethyl sulfide-κ^2^<i>S</i>:<i>S</i>)bis[(biphenyl-2,2'-diyl)platinum(ll)]","","- C32 H36 Pt2 S2 -","- C32 H36 Pt2 S2 -","- C128 H144 Pt8 S8 -","4","1","ZL4008","Rillema, D. Paul; Moore, Curtis; Jehan, Ali","Bis(μ-diethyl sulfide-κ^2^<i>S</i>:<i>S</i>)bis[(biphenyl-2,2'-diyl)platinum(ll)]","IUCrData","2016","1","5","x160789","","10.1107/S2414314616007896","","","0.71073","MoKα","","0.0456","0.0333","","","0.0633","0.0664","","","","","","1.097","","","","has coordinates,has Fobs","183067","2020-10-21","18:00:00",""
"1543352","8.9998","0.0008","9.0314","0.0006","10.2747","0.0005","67.15","0.02","72.45","0.03","82.91","0.03","733.76","0.18","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate","","- C18 H13 F2 N O2 -","- C18 H13 F2 N O2 -","- C36 H26 F4 N2 O4 -","2","1","SJ4012","Shashidhar Bharadwaj, S.; Kumara, Karthik; Poojary, Boja; Yathirajan, H. S.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate: a second triclinic polymorph","IUCrData","2016","1","5","x160739","","10.1107/S2414314616007392","","","0.71073","MoKα","","0.0837","0.0578","","","0.1528","0.1723","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543367","12.0924","0.0002","7.3293","0.0001","15.1975","0.0002","90","","90","","90","","1346.94","0.03","301","","301","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Octaamminecalcium dichloride","","- Ca Cl2 H24 N8 -","- Ca Cl2 H24 N8 -","- Ca4 Cl8 H96 N32 -","4","0.5","WM4011","Kishida, Yoshihiro; Aoki, Masakazu","Calcium octaammine dichloride","IUCrData","2016","1","5","x160835","","10.1107/S241431461600835X","powder diffraction","","0.99958","synchrotron","","0.0295","","","","","","0.02947","0.03926","1.186","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"1543368","14.193","0.003","11.912","0.002","21.253","0.004","90","","93.86","0.03","90","","3585","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate","","- C38 H30 Br2 Mn N4 O7 -","- C38 H30 Br2 Mn N4 O7 -","- C152 H120 Br8 Mn4 N16 O28 -","4","1","","Hu, Ling-Xia; Zhang, Bi-Song","Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate","IUCrData","2016","1","5","x160833","","10.1107/S2414314616008336","","","0.71073","MoKα","","0.1008","0.0555","","","0.1411","0.2049","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543369","6.6872","0.0002","7.9309","0.0002","13.9723","0.0004","82.348","0.002","84.783","0.001","88.71","0.001","731.35","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate","","- C15 H13 F3 N2 O3 -","- C15 H13 F3 N2 O3 -","- C30 H26 F6 N4 O6 -","2","1","SU4051","Maheswari, R.; Manjula, J.; Gunasekaran, B.; Bakiyaraj, G.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate","IUCrData","2016","1","5","x160846","","10.1107/S2414314616008464","","","0.71073","MoKα","","0.0434","0.0364","","","0.104","0.1109","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543370","9.3566","0.0003","12.1189","0.0004","12.7055","0.0004","94.49","0.002","93.3","0.002","107.554","0.001","1364.39","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6b-Hydroxy-17-methyl-15-(3-nitrophenyl)-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one dichloromethane hemisolvate","","- C34.5 H26 Cl N3 O4 -","- C34.5 H26 Cl N3 O4 -","- C69 H52 Cl2 N6 O8 -","2","1","SU4048","Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan","6b-Hydroxy-17-methyl-15-(3-nitrophenyl)-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one dichloromethane hemisolvate","IUCrData","2016","1","5","x160828","","10.1107/S2414314616008282","","","0.71073","MoKα","","0.0594","0.0517","","","0.1423","0.1507","","","","","","1.03","","","","has coordinates,has Fobs","183133","2020-10-21","18:00:00",""
"1543371","15.1825","0.0008","17.7557","0.0007","26.2236","0.0013","90","","92.283","0.004","90","","7063.6","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(3',6'-Dihydroxy-3-oxo-3<i>H</i>-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-3-[4-({4-[1-(4-fluorophenyl)-1<i>H</i>-imidazol-5-yl]pyridin-2-yl}amino)phenyl]thiourea; methanol","","- C42 H31 F N6 O6 S -","- C42 H31 F N6 O6 S -","- C336 H248 F8 N48 O48 S8 -","8","1","","Ansideri, Francesco; Schollmeyer, Dieter; Koch, Pierre","1-(3',6'-Dihydroxy-3-oxo-3<i>H</i>-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-3-[4-({4-[1-(4-fluorophenyl)-1<i>H</i>-imidazol-5-yl]pyridin-2-yl}amino)phenyl]thiourea methanol monosolvate","IUCrData","2016","1","5","x160840","","10.1107/S2414314616008403","","","0.71073","MoKα","","0.1938","0.0701","","","0.1618","0.2397","","","","","","0.918","","","","has coordinates,has disorder,has Fobs","183134","2020-10-21","18:00:00",""
"1543417","6.2175","0.0002","10.2646","0.0004","20.7094","0.0008","102.511","0.002","94.343","0.002","95.263","0.002","1278.63","0.08","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","(4<i>E</i>)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","2","TK4017","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Khodairy, Ahmed; Albayati, Mustafa R.; Ahmed, Eman A.","(4<i>E</i>)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione","IUCrData","2016","1","6","x160909","","10.1107/S2414314616009093","","","1.54178","CuKα","","0.075","0.0656","","","0.1648","0.1706","","","","","","1.112","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543418","14.178","0.003","6.9187","0.0018","7.6407","0.0012","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,5-Dibromo-4-methylpyridine","","- C6 H5 Br2 N -","- C6 H5 Br2 N -","- C24 H20 Br8 N4 -","4","0.5","SJ4042","Medjani, Meriem; Brihi, Ouarda; Bouraoui, Hazem; Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean","3,5-Dibromo-4-methylpyridine","IUCrData","2016","1","6","x160859","","10.1107/S2414314616008592","","","0.71073","MoKα","","0.122","0.0511","","","0.125","0.125","","","","","","1.022","","","","has coordinates,has Fobs","183357","2020-10-21","18:00:00",""
"1543419","8.1594","0.0006","9.2419","0.0006","10.4393","0.0007","82.454","0.006","77.443","0.006","82.281","0.004","757.16","0.09","297","1","297","1","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-Dichlorido(6,11-dihydrodibenzo[<i>b</i>,<i>f</i>][1,4]dithiocine-κ^2^<i>S</i>,<i>S</i>')palladium(II)","","- C14 H12 Cl2 Pd S2 -","- C14 H12 Cl2 Pd S2 -","- C28 H24 Cl4 Pd2 S4 -","2","1","SJ4043","Bernès, Sylvain; Tiburcio, Jorge; Torrens, Hugo","<i>cis</i>-Dichlorido(6,11-dihydrodibenzo[<i>b</i>,<i>f</i>][1,4]dithiocine-κ^2^<i>S</i>,<i>S</i>')palladium(II)","IUCrData","2016","1","6","x160852","","10.1107/S241431461600852X","","","0.71073","MoKα","","0.0477","0.0318","","","0.0693","0.0759","","","","","","1.026","","","","has coordinates,has Fobs","183358","2020-10-21","18:00:00",""
"1543420","8.2338","0.0002","10.9617","0.0002","12.2646","0.0003","76.239","0.001","83.571","0.001","80.407","0.001","1057.12","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide","","- C20 H18 Cl4 N2 O2 -","- C20 H18 Cl4 N2 O2 -","- C40 H36 Cl8 N4 O4 -","2","1","","Gomathi, S.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.","2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide","IUCrData","2016","1","6","x160919","","10.1107/S2414314616009196","","","0.71073","MoKα","","0.1545","0.0859","","","0.1477","0.1863","","","","","","1.065","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543421","8.2286","0.0003","14.9146","0.0006","10.4058","0.0004","90","","111.423","0.001","90","","1188.83","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexane-1,4-diammonium dithiocyanate","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C32 H64 N16 S8 -","4","1","SJ4044","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Albayati, Mustafa R.","Cyclohexane-1,4-diammonium dithiocyanate","IUCrData","2016","1","6","x160864","","10.1107/S2414314616008646","","","1.54178","CuKα","","0.0417","0.037","","","0.097","0.1005","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543422","8.4761","0.0002","15.2842","0.0002","20.5734","0.0003","90","","90","","90","","2665.29","0.08","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium dicarbonyl(η^5^-pentamethylcyclopentadienyl)ferrate(II)","","- C24 H39 Fe K O8 -","- C24 H39 Fe K O8 -","- C96 H156 Fe4 K4 O32 -","4","1","WM4016","Mizuhata, Yoshiyuki; Yanagisawa, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro","[K(18-crown-6)][FeCp*(CO)~2~]","IUCrData","2016","1","6","x160881","","10.1107/S2414314616008816","","","0.71075","MoKα","","0.0267","0.026","","","0.0665","0.0671","","","","","","1.11","","","","has coordinates,has Fobs","183361","2020-10-21","18:00:00",""
"1543423","3.9766","0.0004","11.9503","0.0013","17.947","0.002","90","","96.163","0.003","90","","847.94","0.16","299.69","","299.69","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-1-methylindoline-2,3-dione","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","TK4016","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","5-Chloro-1-methylindoline-2,3-dione","IUCrData","2016","1","6","x160913","","10.1107/S2414314616009135","","","0.71073","MoKα","","0.0538","0.0405","","","0.0959","0.1033","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543424","12.8934","0.0009","7.6576","0.0004","13.2374","0.0009","90","","113.58","0.008","90","","1197.83","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>-{Amino[(diaminomethylidene)amino]methylidene}-<i>N</i>-methylmethanaminium)tribromidozinc(II)","","- C4 H12 Br3 N5 Zn -","- C4 H12 Br3 N5 Zn -","- C16 H48 Br12 N20 Zn4 -","4","1","","Germán-Acacio, Juan M.; Rivas Arzate, Chrystian; Cardenas-Valencia, Zeus; Flores-Alamo, Marcos; Morales-Morales, David","(N-{Amino[(diaminomethylidene)amino]methylidene}-N-methylmethanaminium)tribromidozinc(II)","IUCrData","2016","1","6","x160855","","10.1107/S2414314616008555","","","0.71073","MoKα","","0.0821","0.0623","","","0.1891","0.2056","","","","","","1.081","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:32",""
"1543425","8.0406","0.0009","9.2313","0.0014","15.9898","0.0017","85.693","0.019","76.448","0.019","87.082","0.019","1149.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C44 H36 Cl4 N8 O4 S4 -","4","2","ZQ4007","Saravanan, K.; Elancheran, R.; Divakar, S.; Kabilan, S.; Selvanayagam, S.","2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide","IUCrData","2016","1","6","x160879","","10.1107/S2414314616008798","","","0.71073","MoKα","","0.0771","0.0554","","","0.1534","0.1739","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543454","16.249","0.003","9.878","0.002","8.2425","0.0016","90","","104.79","0.03","90","","1279.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]","","- C10 H8 Br2 N2 Pb -","- C10 H8 Br2 N2 Pb -","- C40 H32 Br8 N8 Pb4 -","4","0.5","","Zhang, Bi-Song; Wu, Chang-Sheng","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]","IUCrData","2016","1","5","x160782","","10.1107/S2414314616007823","","","0.71073","MoKα","","0.0628","0.0426","","","0.086","0.1236","","","","","","1.211","","","","has coordinates,has Fobs","183619","2020-10-21","18:00:00",""
"1543455","18.2964","0.0014","7.1388","0.0006","10.3574","0.0006","90","","90","","90","","1352.82","0.17","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Piperazin-1-ium 4-aminobenzoate monohydrate","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C44 H76 N12 O12 -","4","1","SJ4036","Sivakumar, P.; Mani, A.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","Piperazin-1-ium 4-aminobenzoate monohydrate","IUCrData","2016","1","5","x160819","","10.1107/S2414314616008191","","","0.71073","MoKα","","0.0654","0.0378","","","0.0794","0.0911","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543456","15.5151","0.0003","7.1752","0.0001","14.4593","0.0003","90","","110.072","0.001","90","","1511.9","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(1<i>E</i>)-4-Bromobenzylidene]-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C17 H13 Br N4 O -","- C17 H13 Br N4 O -","- C68 H52 Br4 N16 O4 -","4","1","HB4044","Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T.","<i>N</i>'-[(1<i>E</i>)-4-Bromobenzylidene]-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","IUCrData","2016","1","5","x160830","","10.1107/S2414314616008300","","","1.54178","CuKα","","0.0333","0.0299","","","0.0737","0.0756","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543457","4.0634","0.0001","11.9235","0.0003","18.0978","0.0005","90","","96.17","0.002","90","","871.76","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-1-methylindoline-2,3-dione","","- C9 H6 Br N O2 -","- C9 H6 Br N O2 -","- C36 H24 Br4 N4 O8 -","4","1","SJ4033","Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen","5-Bromo-1-methylindoline-2,3-dione","IUCrData","2016","1","5","x160792","","10.1107/S2414314616007926","","","0.71073","MoKα","","0.0528","0.0388","","","0.0954","0.1017","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543458","8.2323","0.0003","12.9269","0.0006","16.6298","0.0008","90","","90","","90","","1769.71","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H22 Br4 -","- C16 H22 Br4 -","- C64 H88 Br16 -","4","1","SU4046","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2016","1","5","x160820","","10.1107/S2414314616008208","","","0.71073","MoKα","","0.0456","0.0331","","","0.0557","0.059","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543459","13.0967","0.0008","8.1049","0.0004","30.3013","0.0018","90","","97.543","0.003","90","","3188.6","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methylpyridinium 2-carboxybenzoate–benzene-1,2-dicarboxylic acid (2/1)","","- C18 H16 N O6 -","- C18 H16 N O6 -","- C144 H128 N8 O48 -","8","1","SJ4037","Sivakumar, P.; Sudhahar, S.; Gunasekaran, B.; Israel, S.; Chakkaravarthi, G.","2-Methylpyridinium 2-carboxybenzoate–benzene-1,2-dicarboxylic acid (2/1)","IUCrData","2016","1","5","x160817","","10.1107/S2414314616008178","","","0.71073","MoKα","","0.1097","0.0463","","","0.1093","0.1389","","","","","","0.999","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543460","7.3951","0.0004","9.0021","0.0004","10.5163","0.0004","97.298","0.003","92.096","0.003","90.4322","0.0018","693.9","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methoxy-6-methylpyrimidinium hydrogen phthalate","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C28 H30 N6 O10 -","2","1","SU4043","Sangeetha, Ramalingam; Edison, Bellarmin; Thanikasalam, Kanagasabapathy; Kavitha, Savaridasson Jose; Balasubramani, Kasthuri","2-Amino-4-methoxy-6-methylpyrimidinium hydrogen phthalate","IUCrData","2016","1","5","x160794","","10.1107/S241431461600794X","","","0.71073","MoKα","","0.0767","0.0576","","","0.1713","0.209","","","","","","1.119","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543461","7.9149","0.0003","9.3676","0.0004","21.6431","0.0008","90","","90","","90","","1604.7","0.11","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","2","","Eitel, Michael; Schollmeyer, Dieter; Koch, Pierre","(<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime","IUCrData","2016","1","5","x160803","","10.1107/S2414314616008038","","","1.54178","CuKα","","0.0325","0.031","","","0.0824","0.0884","","","","","","1.115","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543462","12.4858","0.0006","14.0212","0.0006","9.848","0.0004","90","","98.179","0.001","90","","1706.51","0.13","183","2","183","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide","","- C8 H11 F6 N3 O6 S2 -","- C8 H11 F6 N3 O6 S2 -","- C32 H44 F24 N12 O24 S8 -","4","1","HB4048","Partl, Gabriel; Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide","IUCrData","2016","1","5","x160824","","10.1107/S2414314616008245","","","0.71073","MoKα","","0.0334","0.0326","","","0.0906","0.0915","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543472","4.731","0.0001","11.9082","0.0003","13.2907","0.0004","87.354","0.001","82.381","0.001","85.283","0.001","739.17","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C30 H30 N2 O8 S2 -","2","1","HB4050","Khalid, Karrouchi; Tachallait, Hamza; Khalid, Bougrin; Mague, Joel T.; Ramli, Youssef","Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","IUCrData","2016","1","6","x160851","","10.1107/S2414314616008518","","","1.54178","CuKα","","0.0391","0.0366","","","0.0943","0.0956","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543473","4.4576","0.0002","27.6646","0.0011","20.953","0.0008","90","","93.87","0.002","90","","2577.98","0.18","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzyl-5-chloroindoline-2,3-dione","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C120 H80 Cl8 N8 O16 -","8","2","HB4051","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-Benzyl-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160854","","10.1107/S2414314616008543","","","0.71073","MoKα","","0.0738","0.0431","","","0.1024","0.1175","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543474","7.6004","0.0003","7.92","0.0003","9.3621","0.0003","113.02","0.001","91.404","0.002","118.35","0.002","440.83","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C18 H14 N6 O6 -","2","1","ZQ4008","Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone","IUCrData","2016","1","6","x160939","","10.1107/S2414314616009391","","","1.54178","CuKα","","0.0423","0.0381","","","0.1002","0.1045","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543475","4.6344","0.0002","12.6284","0.0006","25.3537","0.0012","90","","90","","90","","1483.83","0.12","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Bromo-1-(6-bromohexyl)indoline-2,3-dione","","- C14 H15 Br2 N O2 -","- C14 H15 Br2 N O2 -","- C56 H60 Br8 N4 O8 -","4","1","BT4013","Kharbach, Yassine; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","5-Bromo-1-(6-bromohexyl)indoline-2,3-dione","IUCrData","2016","1","6","x160883","","10.1107/S241431461600883X","","","0.71073","MoKα","","0.0591","0.0333","","","0.0649","0.0717","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543476","7.2571","0.0002","9.7909","0.0002","12.006","0.0002","112.984","0.001","98.163","0.001","96.909","0.001","762.8","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(Carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate","","- C24 H36 N6 O4 S4 -","- C24 H36 N6 O4 S4 -","- C24 H36 N6 O4 S4 -","1","0.5","HG4009","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdel-Raheem, Eman M. M.; Albayati, Mustafa R.","1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate","IUCrData","2016","1","6","x160946","","10.1107/S2414314616009469","","","1.54178","CuKα","","0.0596","0.056","","","0.1582","0.1622","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543477","6.0099","0.0003","8.7905","0.0004","9.2603","0.0004","91.03","0.002","91.835","0.002","94.878","0.002","487.09","0.04","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea]","","- C18 H16 Cl2 N4 O2 S2 -","- C18 H16 Cl2 N4 O2 S2 -","- C18 H16 Cl2 N4 O2 S2 -","1","0.5","SJ4038","Abusaadiya, Salima M.; Yamin, Bohari M.; Ngatiman, Fadzlee; Hasbullah, Siti Aishah","1,1'-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea]","IUCrData","2016","1","6","x160927","","10.1107/S2414314616009275","","","0.71073","MoKα","","0.0476","0.0356","","","0.0859","0.0944","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543478","8.0416","0.0008","9.4577","0.001","9.7397","0.001","74.168","0.002","84.636","0.002","78.731","0.002","698.28","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Methyl 8-oxo-2-phenyl-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","Gomes, Ralph C.; de Simoni, Deborah; Coelho, Fernando","Methyl 8-oxo-2-phenyl-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","IUCrData","2016","1","6","x160925","","10.1107/S2414314616009251","","","0.71073","MoKα","","0.0418","0.0391","","","0.096","0.0985","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543479","9.7953","0.0003","12.4179","0.0003","14.4833","0.0004","90","","107.49","0.001","90","","1680.26","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetamido-1<i>H</i>-pyrazole-4-carboxamide monohydrate","","- C6 H10 N4 O3 -","- C6 H10 N4 O3 -","- C48 H80 N32 O24 -","8","2","TK4015","El Ghayati, Lhoussaine; Ramli, Youssef; Essassi, El Mokhtar; Taha, Mohamed Labd; Mague, Joel T.","5-Acetamido-1<i>H</i>-pyrazole-4-carboxamide monohydrate","IUCrData","2016","1","6","x160947","","10.1107/S2414314616009470","","","1.54178","CuKα","","0.0413","0.0363","","","0.0919","0.096","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543480","5.094","0.0012","14.738","0.003","15.703","0.003","90","","96.932","0.009","90","","1170.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","","- C11 H8 Cl2 N2 O S -","- C11 H8 Cl2 N2 O S -","- C44 H32 Cl8 N8 O4 S4 -","4","1","BT4014","Saravanan, K.; Priya, K.; Anand, S. Athavan Alias; Kabilan, S.; Selvanayagam, S.","2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","IUCrData","2016","1","6","x160903","","10.1107/S2414314616009032","","","0.71073","MoKα","","0.0818","0.0627","","","0.1684","0.1776","","","","","","0.977","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543481","5.7659","0.0011","8.5396","0.0017","10.804","0.002","81.579","0.006","88.02","0.006","71.167","0.006","498.02","0.17","200","2","200.15","","","","","","","","","3","P -1","-P 1","2","","4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol","","- C11 H14 O3 -","- C11 H14 O3 -","- C22 H28 O6 -","2","1","SJ4039","Knight, Kyle S.; Orick, Michael C.","4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol","IUCrData","2016","1","6","x160936","","10.1107/S2414314616009366","","","0.71073","MoKα","","0.0551","0.0456","","","0.1085","0.1135","","","","","","1.067","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543482","31.2222","0.0006","7.9107","0.0002","8.3373","0.0002","90","","90","","90","","2059.23","0.08","296.15","","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Allyl-5-chloroindoline-2,3-dione","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C88 H64 Cl8 N8 O16 -","8","1","HB4053","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid","1-Allyl-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160862","","10.1107/S2414314616008622","","","0.71073","MoKα","","0.0633","0.0459","","","0.1308","0.1462","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543483","8.676","0.0003","8.7882","0.0003","9.8142","0.0004","78.2","0.001","73.311","0.001","86.242","0.001","701.61","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-[(2<i>Z</i>)-2-Benzylidene-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetic acid","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C34 H26 N2 O6 S2 -","2","1","HB4054","Sebbar, Nada Kheira; Ellouz, Mohamed; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","2-[(2<i>Z</i>)-2-Benzylidene-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetic acid","IUCrData","2016","1","6","x160863","","10.1107/S2414314616008634","","","1.54178","CuKα","","0.0333","0.0321","","","0.0821","0.0831","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543484","7.8524","0.0004","14.8559","0.0009","12.6646","0.0006","90","","96.964","0.005","90","","1466.48","0.14","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]","","- C4 H18 B2 Na2 O14 -","- C4 H18 B2 Na2 O14 -","- C16 H72 B8 Na8 O56 -","4","1","WM4014","Rajasekar, Gunasekaran; Vinothkumar, Panchanathan; Sudhahar, Sakkarapani; Chakkaravarthi, Ganesan; Bhaskaran, Arumugam","<i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]","IUCrData","2016","1","6","x160948","","10.1107/S2414314616009482","","","0.71073","MoKα","","0.1153","0.0687","","","0.1338","0.1641","","","","","","1.094","","","","has coordinates,has Fobs","183696","2020-10-21","18:00:00",""
"1543485","7.2648","0.0003","8.7228","0.0004","8.9297","0.0004","82.834","0.002","71.465","0.002","85.478","0.001","531.86","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate","","- C8 H13 N7 O2 -","- C8 H13 N7 O2 -","- C16 H26 N14 O4 -","2","1","HG4007","Lahmidi, Sanae; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.; Zouihri, Hafid","2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate","IUCrData","2016","1","6","x160870","","10.1107/S2414314616008701","","","1.54178","CuKα","","0.042","0.0393","","","0.1018","0.1042","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543486","11.759","0.0011","7.2852","0.0006","15.967","0.0016","90","","105.42","0.003","90","","1318.6","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone","","- C14 H6 N2 O8 -","- C14 H6 N2 O8 -","- C56 H24 N8 O32 -","4","1","SJ4045","Furukawa, Wataru; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone","IUCrData","2016","1","6","x160906","","10.1107/S2414314616009068","","","0.71073","MoKα","","0.0431","0.0388","","","0.1089","0.114","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543503","8.0353","0.0004","8.3496","0.0005","17.1096","0.0011","84.491","0.003","78.086","0.003","65.126","0.002","1018.94","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","1-(12-Bromododecyl)-5-chloroindoline-2,3-dione","","- C20 H27 Br Cl N O2 -","- C20 H27 Br Cl N O2 -","- C40 H54 Br2 Cl2 N2 O4 -","2","1","FF4007","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid","1-(12-Bromododecyl)-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160971","","10.1107/S2414314616009718","","","0.71073","MoKα","","0.0683","0.0456","","","0.1098","0.1206","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543504","18.28","0.014","5.493","0.004","18.298","0.014","90","","96.02","0.006","90","","1827","2","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Takase, Tsugiko; Soga, Yuka; Oyama, Dai","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","IUCrData","2016","1","6","x160950","","10.1107/S2414314616009500","","","0.71075","MoKα","","","0.0998","","","","0.2237","","","","","","1.144","","","","has coordinates,has Fobs","183850","2020-10-21","18:00:00",""
"1543505","7.1617","0.0004","7.2787","0.0004","14.4257","0.0008","77.0382","0.0009","78.7453","0.0008","61.5479","0.0007","640.88","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,4-Bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole","","- C12 H6 Br2 N4 S -","- C12 H6 Br2 N4 S -","- C24 H12 Br4 N8 S2 -","2","1","IS4008","Becker, Lisanne; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","A second polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole","IUCrData","2016","1","6","x160960","","10.1107/S2414314616009603","","","0.71073","MoKα","","0.03","0.0262","","","0.0727","0.0747","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543506","6.3586","0.0004","13.6276","0.0009","11.7469","0.0008","90","","104.559","0.002","90","","985.21","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","","- C20 H17 N3 O8 -","- C20 H17 N3 O8 -","- C40 H34 N6 O16 -","2","1","VM4009","Sivakumar, P.; Niranjana Devi, R.; Israel, S.; Chakkaravarthi, G.","3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","IUCrData","2016","1","6","x160979","","10.1107/S2414314616009792","","","0.71073","MoKα","","0.078","0.0452","","","0.1005","0.1172","","","","","","1.085","","","","has coordinates,has Fobs","183852","2020-10-21","18:00:00",""
"1543529","19.1437","0.0006","7.642","0.0003","13.2619","0.0004","90","","97.369","0.001","90","","1924.14","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-([4,4'-Bipyridine]-1,1'-diium-1,1'-diyl)dibenzoate dihydrate","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","PK4006","Rodriguez, Mark A.; Sava Gallis, Dorina F.; Chavez, James S.; Klivansky, Liana M.; Liu, Yi","4,4'-([4,4'-Bipyridine]-1,1'-diium-1,1'-diyl)dibenzoate dihydrate","IUCrData","2016","1","6","x160966","","10.1107/S2414314616009664","","","1.54178","CuKα","","0.0437","0.0408","","","0.1347","0.1388","","","","","","1.116","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543530","16.51","0.0008","4.459","0.0002","17.5229","0.0008","90","","98.108","0.005","90","","1277.11","0.1","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","1,3-Bis(1-methyl-5-thioxo-1,2,4-triazolin-4-yl)urea","","- C7 H10 N8 O S2 -","- C7 H10 N8 O S2 -","- C28 H40 N32 O4 S8 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","1,3-Bis(1-methyl-5-thioxo-1,2,4-triazolin-4-yl)urea","IUCrData","2016","1","6","x160992","","10.1107/S2414314616009925","","","0.71073","MoKα","","0.0406","0.0326","","","0.0731","0.078","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543531","20.7884","0.0008","3.7215","0.0001","23.8849","0.0009","90","","98.582","0.002","90","","1827.14","0.11","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","2","BH4007","Filali Baba, Yassir; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate","IUCrData","2016","1","6","x160997","","10.1107/S2414314616009974","","","1.54178","CuKα","","0.0498","0.0408","","","0.1028","0.1099","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543532","3.9098","0.0001","40.7555","0.0015","6.0917","0.0002","90","","93.748","0.001","90","","968.61","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione","","- C10 H6 Cl N O2 S -","- C10 H6 Cl N O2 S -","- C40 H24 Cl4 N4 O8 S4 -","4","1","XU4009","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","(5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione","IUCrData","2016","1","6","x160988","","10.1107/S2414314616009883","","","1.54178","CuKα","","0.0354","0.0342","","","0.0873","0.0882","","","","","","1.142","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543533","4.8087","0.0002","11.0283","0.0005","11.1135","0.0005","108.704","0.003","96.174","0.003","100.533","0.003","540.03","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate","","- C8 H10 F3 N3 O3 -","- C8 H10 F3 N3 O3 -","- C16 H20 F6 N6 O6 -","2","1","SU4055","Jeevaraj, Muthaiah; Edison, Bellarmin; Kavitha, Savaridasson Jose; Thanikasalam, Kanagasabapathy; Britto, Sebastian; Balasubramani, Kasthuri","2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate","IUCrData","2016","1","6","x161010","","10.1107/S2414314616010105","","","0.71073","MoKα","","0.096","0.0645","","","0.1963","0.2448","","","","","","1.078","","","","has coordinates,has Fobs","183950","2020-10-21","18:00:00",""
"1543534","12.7331","0.0003","12.9694","0.0003","14.6354","0.0003","104.159","0.0006","101.358","0.0006","112.687","0.0006","2044.33","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl- 5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ^2^<i>P</i>,<i>P</i>'}palladium(II)) diethyl ether disolvate","","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","1","0.5","IS4009","Höhne, Martha; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ^2^<i>P</i>,<i>P</i>'}palladium(II)) diethyl ether disolvate","IUCrData","2016","1","6","x160986","","10.1107/S241431461600986X","","","0.71073","MoKα","","0.032","0.0285","","","0.0728","0.0755","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","183951","2020-10-21","18:00:00",""
"1543535","11.7526","0.0003","10.4082","0.0003","25.5656","0.0007","90","","90","","90","","3127.27","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C144 H128 N16 O16 S8 -","8","1","SJ4050","Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","IUCrData","2016","1","6","x161012","","10.1107/S2414314616010129","","","0.71073","MoKα","","0.0772","0.0415","","","0.0962","0.1163","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543536","33.4769","0.0017","7.4977","0.0003","9.7916","0.0004","90","","90","","90","","2457.69","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","2","SJ4047","Naas, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole","IUCrData","2016","1","6","x160961","","10.1107/S2414314616009615","","","0.71073","MoKα","","0.0906","0.049","","","0.1101","0.13","","","","","","1.01","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543537","10.857","0.003","26.523","0.008","33.064","0.01","90","","90","","90","","9521","5","298","","298","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]","","- C30 H20 Cu2 N6 -","- C30 H20 Cu2 N6 -","- C480 H320 Cu32 N96 -","16","","WM5300","Zhou, Rui; Meng, Fa-Yan; Li, Xue-Hua","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]","IUCrData","2016","1","6","x161007","","10.1107/S2414314616010075","","","0.71073","MoKα","","0.049","0.0349","","","0.0775","0.0838","","","","","","1.088","","","","has coordinates,has Fobs","183954","2020-10-21","18:00:00",""
"1543538","5.8132","0.0008","19.763","0.002","11.656","0.001","90","","96.85","0.01","90","","1329.6","0.3","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-bromophenyl dipyrromethane","2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole)","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C60 H52 Br4 N8 -","4","1","SU4054","Bauri, A. K.; Foro, Sabine; Nguyen, Nhu Do Quynh","2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole)","IUCrData","2016","1","6","x161005","","10.1107/S2414314616010051","","","0.71073","MoKα","","0.0835","0.0631","","","0.1641","0.1762","","","","","","1.2","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543539","19.564","0.016","9.127","0.008","11.001","0.01","90","","94.88","0.04","90","","1957","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>S</i>,5<i>R</i>)-3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C23 H21 Cl N2 O -","- C23 H21 Cl N2 O -","- C92 H84 Cl4 N8 O4 -","4","1","BT4016","Ben Soumane, Yahya; Baouid, Abdesselam; El Hadrami, El Mestafa; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(4<i>S</i>,5<i>R</i>)-3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2016","1","6","x161022","","10.1107/S2414314616010221","","","0.71073","MoKα","","0.1321","0.0485","","","0.0968","0.1233","","","","","","0.966","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543540","8.6905","0.0002","9.0249","0.0003","10.824","0.0003","68.803","0.001","78.52","0.001","72.98","0.001","752.69","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Oxopropylidene)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","SJ4049","Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1<i>H</i>)-one","IUCrData","2016","1","6","x161013","","10.1107/S2414314616010130","","","1.54178","CuKα","","0.0412","0.0381","","","0.1043","0.1074","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543541","11.8614","0.0004","15.8834","0.0006","6.7495","0.0002","90","","102.411","0.002","90","","1241.89","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(<i>Z</i>)-2-(2-nitrophenyl)hydrazinylidene]propanoate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","BT4015","Errossafi, Amal; El Kihel, Abdellatif; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-[(<i>Z</i>)-2-(2-nitrophenyl)hydrazinylidene]propanoate","IUCrData","2016","1","6","x161015","","10.1107/S2414314616010154","","","0.71073","MoKα","","0.1033","0.0488","","","0.1134","0.146","","","","","","1.022","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543542","6.3365","0.0004","21.5911","0.0018","6.6167","0.0006","90","","100.661","0.007","90","","889.62","0.12","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","caesium salicylate monohydrate","Poly[(μ~2~-aqua-μ~4~-(salicylato-κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:\ <i>O</i>^2^)-caesium]","","- C7 H7 Cs O4 -","- C7 H7 Cs O4 -","- C28 H28 Cs4 O16 -","4","1","WM4017","Smith, Graham","A second monoclinic polymorph of caesium salicylate monohydrate","IUCrData","2016","1","6","x160980","","10.1107/S2414314616009809","","","0.71073","MoKα","","0.043","0.0328","","","0.0618","0.067","","","","","","1.015","","","","has coordinates,has Fobs","183959","2020-10-21","18:00:00",""
"1543543","7.6682","0.0003","16.5504","0.0006","16.2358","0.0007","90","","93.775","0.001","90","","2056.04","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-1-methyl-4-oxo-1<i>H</i>-imidazol-3-ium) 3-nitrobenzene-1,2-dioate monohydrate","","- C16 H21 N7 O9 -","- C16 H21 N7 O9 -","- C64 H84 N28 O36 -","4","1","","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","Bis(creatininium) 3-nitrophthalate monohydrate","IUCrData","2016","1","6","x160989","","10.1107/S2414314616009895","","","0.71073","MoKα","","0.039","0.0339","","","0.0915","0.0971","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543574","7.9645","0.0005","10.3576","0.0006","12.7222","0.0007","101.576","0.005","101.64","0.005","100.566","0.005","979.21","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Sulfamethizole–2-amino-4,6-dimethoxypyrimidine (1/1)","4-Amino-<i>N</i>-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide; 2-amino-4,6-dimethoxypyrimidine","","- C15 H19 N7 O4 S2 -","- C15 H19 N7 O4 S2 -","- C30 H38 N14 O8 S4 -","2","1","HB4056","Öztürk, Filiz; Bulut, İclal; Yavuz, Yunus Emre; Bulut, Ahmet","Sulfamethizole–2-amino-4,6-dimethoxypyrimidine (1/1)","IUCrData","2016","1","6","x161030","","10.1107/S2414314616010300","","","0.71073","MoKα","","0.0533","0.0451","","","0.1065","0.1109","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543575","9.7931","0.0012","8.6816","0.0011","14.1098","0.0017","90","","94.003","0.004","90","","1196.7","0.3","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradeca-4,11-diene bis(methanesulfonate)","","- C18 H40 N4 O6 S2 -","- C18 H40 N4 O6 S2 -","- C36 H80 N8 O12 S4 -","2","0.5","HB4059","Spendel, Katherine; Nazarenko, Alexander Y.","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradeca-4,11-diene bis(methanesulfonate)","IUCrData","2016","1","6","x161033","","10.1107/S2414314616010336","","","0.71073","MoKα","","0.0627","0.0408","","","0.0999","0.1102","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543576","6.3184","0.0002","15.4673","0.0006","13.2528","0.0005","90","","98.762","0.002","90","","1280.06","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>E</i>)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C60 H68 N12 O8 -","4","1","HB4060","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Ahmed, Eman A.; Mohamed, Alaa F.; Albayati, Mustafa R.","(4<i>E</i>)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione","IUCrData","2016","1","6","x161028","","10.1107/S2414314616010282","","","1.54178","CuKα","","0.06","0.0427","","","0.1018","0.1093","","","","","","1.028","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543618","5.875","0.0002","25.9891","0.0012","10.3089","0.0004","90","","90.761","0.004","90","","1573.89","0.11","423","2","423","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(3-benzoylthioureido)-3-phenylpropanoic acid","2-(3-Benzoylthioureido)-3-phenylpropanoic acid","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Chong, Yan Yi; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","2-(3-Benzoylthioureido)-3-phenylpropanoic acid","IUCrData","2016","1","7","x161091","","10.1107/S2414314616010919","","","1.54178","CuKα","","0.038","0.0354","","","0.0942","0.0964","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543619","11.374","0.002","14.363","0.003","5.05","0.002","90","","90","","90","","825","0.4","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","Veratraldehyde","3,4-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","HB4058","de Ronde, Erik; Brugman, Sander J.T.; Koning, Niels; Tinnemans, Paul; Vlieg, Elias","3,4-Dimethoxybenzaldehyde","IUCrData","2016","1","7","x161008","","10.1107/S2414314616010087","","","0.71073","MoKα","","0.0467","0.035","","","0.0899","0.0969","","","","","","1.028","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543620","8.7733","0.0002","8.8342","0.0002","39.4158","0.001","90","","94.15","0.002","90","","3046.92","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) bis(perchlorate) hemihydrate","","- C30 H23 Cl2 N6 Ni O8.5 -","- C30 H23 Cl2 N6 Ni O8.5 -","- C120 H92 Cl8 N24 Ni4 O34 -","4","1","SU4053","Anderer, Carolin; Näther, Christian; Bensch, Wolfgang","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) bis(perchlorate) hemihydrate","IUCrData","2016","1","7","x161009","","10.1107/S2414314616010099","","","0.71073","MoKα","","0.0432","0.039","","","0.1037","0.1068","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543621","31.808","0.003","4.6312","0.0004","19.0381","0.0016","90","","122.839","0.003","90","","2356.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","1","TK4019","Rejouani, Fatima-Zahra; Mojahidi, Souad; Rakib, El Mostapha; Mdeghri Alaoui, Abdelouahed; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate","IUCrData","2016","1","7","x161074","","10.1107/S2414314616010749","","","0.71073","MoKα","","0.06","0.0444","","","0.126","0.1401","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543622","6.1957","0.0002","10.646","0.0003","12.2909","0.0003","68.845","0.001","78.971","0.001","84.919","0.001","741.93","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C30 H30 N2 O10 S2 -","2","1","HB4063","Tachallait, Hamza; Karrouchi, Khalid; Bougrin, Khalid; Mague, Joel T.; Ramli, Youssef","Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","IUCrData","2016","1","7","x161041","","10.1107/S2414314616010415","","","1.54178","CuKα","","0.0324","0.0302","","","0.077","0.0787","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543623","7.9078","0.00014","8.27871","0.00015","13.4075","0.0003","73.8395","0.0007","79.2764","0.0007","68.1246","0.0007","779.01","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>]-1,5-naphthyridine-κ<i>N</i>^1^]zinc","","- C17 H11 Cl2 N3 Zn -","- C17 H11 Cl2 N3 Zn -","- C34 H22 Cl4 N6 Zn2 -","2","1","","Ohtsu, Hideki; Oura, Takahiro; Takaoka, Mikio; Tsuge, Kiyoshi; Tanaka, Koji","Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]zinc","IUCrData","2016","1","7","x161093","","10.1107/S2414314616010932","","","1.54187","CuKα","","","0.039","","","","0.1082","","","","","","1.084","","","","has coordinates,has Fobs","184296","2020-10-21","18:00:00",""
"1543624","7.004","0.009","14.054","0.017","15.275","0.019","90","","90.368","0.012","90","","1504","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","","- C18 H12 N2 O3 S -","- C18 H12 N2 O3 S -","- C72 H48 N8 O12 S4 -","4","1","BT4017","Saravanan, K.; Archana, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S.","2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","IUCrData","2016","1","7","x161053","","10.1107/S2414314616010531","","","0.71073","MoKα","","0.1041","0.0655","","","0.1724","0.2188","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543625","9.5048","0.0004","4.8237","0.0002","23.3395","0.0011","90","","100.829","0.002","90","","1051.02","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,6-Dimethyl-benzofuran-3-yl-acetic acid","2-(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Ramprasad, N.; Gowda, Ramakrishna; Gowda, K.V. Arjuna; Basanagouda, Mahantesha","2-(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","7","x161032","","10.1107/S2414314616010324","","","0.71073","MoKα","","0.0594","0.0432","","","0.1145","0.1288","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543656","13.1617","0.0006","14.1804","0.0004","7.4923","0.0003","90","","98.758","0.002","90","","1382.04","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylpyridinium 2-carboxy-6-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","IS4010","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Methylpyridinium 2-carboxy-6-nitrobenzoate","IUCrData","2016","1","7","x161104","","10.1107/S2414314616011044","","","0.71073","MoKα","","0.0972","0.0587","","","0.1373","0.1632","","","","","","1.084","","","","has coordinates,has Fobs","184423","2020-10-21","18:00:00",""
"1543657","6.8692","0.0012","12.221","0.002","11.7933","0.0019","90","","105.726","0.005","90","","953","0.3","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11β-Hydroxymedroxyprogesterone","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","ZL4009","Yusop, Sharifah Nurfazilah Wan; Sultan, Sadia; Yamin, Bohari M.; Shah, Syed Adnan Ali; Naz, Humera","11β-Hydroxymedroxyprogesterone","IUCrData","2016","1","7","x161075","","10.1107/S2414314616010750","","","0.71073","MoKα","","0.0664","0.0535","","","0.1144","0.122","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543658","8.0636","0.0007","8.4278","0.0007","17.2516","0.0014","90","","91.82","0.002","90","","1171.8","0.17","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C20 H16 Br4 Cu2 N4 O4 -","- C20 H16 Br4 Cu2 N4 O4 -","- C40 H32 Br8 Cu4 N8 O8 -","2","0.5","","Rodriguez-Santiago, Alan J; Acosta, Carlos; Raptis, Raphael G.","Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","IUCrData","2016","1","7","x161029","","10.1107/S2414314616010294","","","0.71073","MoKα","","0.0645","0.0465","","","0.1003","0.106","","","","","","1.163","","","","has coordinates,has Fobs","184425","2020-10-21","18:00:00",""
"1543659","27.471","0.003","7.423","0.0006","31.425","0.003","90","","108.428","0.003","90","","6079.5","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)]","","- C66 H44 Cd2 N10 O15 -","- C66 H44 Cd2 N10 O15 -","- C264 H176 Cd8 N40 O60 -","4","0.5","","Qi, Xiao-Jin; Yuan, Bing-Nian; Zhang, Kang-Long","Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)]","IUCrData","2016","1","7","x161092","","10.1107/S2414314616010920","","","0.71073","MoKα","","0.0767","0.0467","","","0.0966","0.1074","","","","","","1.043","","","","has coordinates,has Fobs","184426","2020-10-21","18:00:00",""
"1543660","8.3253","0.0004","9.5065","0.0005","9.5909","0.0005","85.526","0.003","70.885","0.003","78.863","0.003","703.62","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","VM4010","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate","IUCrData","2016","1","7","x161098","","10.1107/S2414314616010981","","","0.71073","MoKα","","0.0959","0.0498","","","0.1212","0.1495","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543661","12.8062","0.0018","5.4759","0.0008","15.84","0.002","90","","92.709","0.004","90","","1109.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium (<i>Z</i>)-3-carboxyprop-2-enoate","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","SJ4052","Amudha, M.; Gunasekaran, B.; Kumar, P. Praveen; Chakkaravarthi, G.","1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium (<i>Z</i>)-3-carboxyprop-2-enoate","IUCrData","2016","1","7","x161025","","10.1107/S2414314616010257","","","0.71073","MoKα","","0.0857","0.0439","","","0.0999","0.118","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543662","11.145","0.003","9.878","0.002","18.355","0.004","90","","93.952","0.007","90","","2015.9","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H19 Cl N2 O2 -","- C23 H19 Cl N2 O2 -","- C92 H76 Cl4 N8 O8 -","4","1","HB4064","Kumar, S. Madan; Manasa, D.; Kumar, Vasantha; Poojary, Boja; Byrappa, K.; Abdoh, M. M. M.","Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","IUCrData","2016","1","7","x161068","","10.1107/S2414314616010683","","","0.71075","MoKα","","0.159","0.0776","","","0.1536","0.1846","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543663","11.1721","0.0007","8.1249","0.0005","28.8799","0.0018","90","","100.213","0.001","90","","2580","0.3","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)]","","- C21 H24 Cl3 N5 Na O5.5 -","- C21 H24 Cl3 N5 Na O5.5 -","- C84 H96 Cl12 N20 Na4 O22 -","4","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Laufer, Stefan","Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)]","IUCrData","2016","1","7","x161081","","10.1107/S2414314616010816","","","0.71073","MoKα","","0.066","0.0554","","","0.126","0.1305","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543670","5.232","0.0004","9.9727","0.0009","19.99","0.0018","90","","97.5196","0.0018","90","","1034.05","0.15","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Hydroxybenzylidene)-4-methylthiosemicarbazide","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C36 H44 N12 O4 S4 -","4","1","HG4008","Kassim, Karimah; Hashim, Nor Zakiah Nor; M.Yamin, Bohari; Zaki, Hamizah Mohd","(<i>E</i>)-1-(4-Hydroxybenzylidene)-4-methylthiosemicarbazide","IUCrData","2016","1","7","x161048","","10.1107/S2414314616010488","","","0.71073","MoKα","","0.068","0.048","","","0.1164","0.1295","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543671","18.4827","0.0012","9.8467","0.0006","22.0681","0.0015","90","","90","","90","","4016.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","","- C24 H18 F N3 O2 -","- C23.9999 H17.9995 F N3 O2 -","- C191.999 H143.996 F8 N24 O16 -","8","1","","Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","IUCrData","2016","1","7","x161124","","10.1107/S241431461601124X","","","0.71075","MoKα","","0.1097","0.0587","","","0.1059","0.1214","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","184488","2020-10-21","18:00:00",""
"1543672","7.0564","0.0004","7.8593","0.0005","24.1907","0.0018","90","","90","","90","","1341.58","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate","","- C11 H15 N3 O4 S -","- C11 H15 N3 O4 S -","- C44 H60 N12 O16 S4 -","4","1","SU4059","Thayanithi, V.; Kumar, P. Praveen; Chakkaravarthi, G.","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate","IUCrData","2016","1","7","x161125","","10.1107/S2414314616011251","","","0.71073","MoKα","","0.0514","0.0411","","","0.1028","0.11","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543673","7.915","0.007","12.1641","0.001","17.255","0.014","69.51","0.02","79.5","0.02","82.93","0.03","1527","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(1,3-Dioxoisoindolin-2-yl)-1,3-thiazol-4-yl]benzonitrile","","- C18 H9 N3 O2 S -","- C18 H9 N3 O2 S -","- C72 H36 N12 O8 S4 -","4","2","ZP4007","Saravanan, K.; Divakar, S.; Elancheran, R.; Kabilan, S.; Selvanayagam, S.","4-[2-(1,3-Dioxoisoindolin-2-yl)-1,3-thiazol-4-yl]benzonitrile","IUCrData","2016","1","7","x161117","","10.1107/S2414314616011172","","","0.71073","MoKα","","0.0944","0.0584","","","0.1545","0.1827","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543674","7.514","0.0002","10.3737","0.0003","17.8484","0.0005","90","","90","","90","","1391.25","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole","","- C16 H17 N3 -","- C16 H17 N3 -","- C64 H68 N12 -","4","1","SU4060","El Ghozlani, Mohamed; Rais, Adiba; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole","IUCrData","2016","1","7","x161121","","10.1107/S2414314616011214","","","0.71073","MoKα","","0.078","0.0446","","","0.0967","0.1128","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:47",""
"1543675","9.3621","0.0002","11.3559","0.0002","15.192","0.0003","90","","98.0838","0.0018","90","","1599.09","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-diol dimethylformamide disolvate","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C80 H72 N4 O8 -","2","0.5","ZL4010","Nozari, Mohammad; Kaur, Manpreet; Jasinski, Jerry P.; Addison, Anthony W.; Arabi Shamsabadi, Ahmad; Soroush, Masoud","5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-diol dimethylformamide disolvate","IUCrData","2016","1","7","x161130","","10.1107/S2414314616011305","","","1.54184","CuKα","","0.0559","0.0511","","","0.1379","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543682","13.9118","0.0003","10.37486","0.00019","20.6696","0.0004","90","","103.929","0.0007","90","","2895.58","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C24 H34 N4 Pd S6 -","- C24 H34 N4 Pd S6 -","- C96 H136 N16 Pd4 S24 -","4","1","","Begum, K.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.; Begum, M. S.","Bis[<i>S</i>-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","IUCrData","2016","1","7","x161132","","10.1107/S2414314616011329","","","0.71075","MoKα","","","0.0206","","","","0.0554","","","","","","1.079","","","","has coordinates,has Fobs","184533","2020-10-21","18:00:00",""
"1543683","12.4679","0.0012","11.9467","0.0011","9.5278","0.0008","90","","95.701","0.007","90","","1412.1","0.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","","- C10 H7 Cl3 N4 O S2 -","- C10 H7 Cl3 N4 O S2 -","- C40 H28 Cl12 N16 O4 S8 -","4","1","SU4061","Madan Kumar, S.; Madhu Kumar, D. J.; Shivakumar, H. P.; Jagadeesha Prasad, D.; Byrappa, K.; Abdoh, M. M. M.","2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","IUCrData","2016","1","7","x161123","","10.1107/S2414314616011238","","","0.71075","MoKα","","0.0757","0.0507","","","0.1177","0.1283","","","","","","1.094","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543684","12.2526","0.0008","6.6872","0.0003","16.6376","0.0012","90","","103.836","0.004","90","","1323.66","0.14","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-3-methylpyridinium 4-methoxybenzoate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","SU4062","Sivakumar, P.; Devi, R. Niranjana; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium 4-methoxybenzoate","IUCrData","2016","1","7","x161126","","10.1107/S2414314616011263","","","0.71073","MoKα","","0.1069","0.0531","","","0.1213","0.1506","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543726","9.33","0.006","18.724","0.004","13.484","0.003","90","","102.898","0.008","90","","2296.2","1.6","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[(azidocarbonyl)amino]benzoate","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C80 H80 N32 O24 -","8","1","HB4066","Yassine, Hasna; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa","Ethyl 2-[(azidocarbonyl)amino]benzoate","IUCrData","2016","1","7","x161155","","10.1107/S241431461601155X","","","0.71073","MoKα","","0.0975","0.0425","","","0.0873","0.0963","","","","","","1.61","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543727","10.113","0.008","13.278","0.01","12.224","0.01","90","","102.219","0.015","90","","1604","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H12 Cl2 N2 O2 -","- C17 H12 Cl2 N2 O2 -","- C68 H48 Cl8 N8 O8 -","4","1","VM4011","Kumar, S. Madan; Manju, N.; Asma; Kalluraya, Balakrishna; Byrappa, K.; Warad, Ismail","5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2016","1","7","x161111","","10.1107/S2414314616011111","","","0.71075","MoKα","","0.1142","0.0724","","","0.1496","0.182","","","","","","1.207","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543728","10.2857","0.0012","14.325","0.0017","17.794","0.002","71.528","0.001","79.919","0.001","72.784","0.001","2365.7","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","Diaquabis[<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(isonicotinamide)-κ<i>N</i>]bis(hydrogen phthalato-κ<i>O</i>)nickel(II) hexahydrate","","- C44 H54 N8 Ni O20 -","- C44 H54 N8 Ni O20 -","- C88 H108 N16 Ni2 O40 -","2","1","WM4020","Beard, Torél; LaDuca, Robert L.","Diaquabis[<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(isonicotinamide)-κ<i>N</i>]bis(hydrogen phthalato-κ<i>O</i>)nickel(II) hexahydrate","IUCrData","2016","1","7","x161167","","10.1107/S2414314616011676","","","0.71073","MoKα","","0.0571","0.0427","","","0.1042","0.1145","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543729","8.4132","0.0014","8.487","0.0014","16.67","0.003","83.56","0.002","85.919","0.002","62.599","0.002","1049.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(4<i>E</i>)-1-Decyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C44 H64 N4 O4 -","2","1","BH4008","Sebhaoui, Jihad; Zang Ondo, Cherryl Mirabelle; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>E</i>)-1-Decyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","7","x161174","","10.1107/S2414314616011743","","","0.71073","MoKα","","0.0717","0.0472","","","0.1194","0.1359","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543730","10.144","0.002","16.276","0.003","10.491","0.002","90","","101.27","0.03","90","","1698.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1<i>H</i>-1λ^4^,11λ^4^-1,3,5,2-oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridine","","- C20 H13 B F2 N4 O -","- C20 H13 B F2 N4 O -","- C80 H52 B4 F8 N16 O4 -","4","1","","Wang, Bang Zhong; Zhou, Yong; Zhou, Jun Ping; Luo, Jian Song; Chi, Shao Ming","1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1<i>H</i>-1λ^4^,11λ^4^-1,3,5,2-oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridine","IUCrData","2016","1","7","x161129","","10.1107/S2414314616011299","","","0.71073","MoKα","","0.1218","0.0691","","","0.2002","0.233","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543736","8.199","0.002","7.653","0.002","8.986","0.003","90","","104.005","0.003","90","","547.1","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Kotha, Sambasivarao; Bandi, Vijayalakshmi; Gunta, Rama; Gaddamedi, Sreevani","Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione","IUCrData","2016","1","7","x161173","","10.1107/S2414314616011731","","","0.71075","MoKα","","","0.0419","","","","0.0856","","","","","","0.852","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543737","21.231","0.003","10.8714","0.0014","14.589","0.004","90","","128.524","0.003","90","","2634.4","0.9","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","","- C13 H15 F N2 S -","- C13 H15 F N2 S -","- C104 H120 F8 N16 S8 -","8","1","LH4008","Kadir, Aisyah; Abd Malek, Normyzatul Akmal; Mohd Zaki, Hamizah; Hasbullah, Siti Aishah; Yamin, Bohari M.","1-(4-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","IUCrData","2016","1","7","x161189","","10.1107/S2414314616011895","","","0.71073","MoKα","","0.0497","0.039","","","0.0913","0.1017","","","","","","1.1","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543738","7.49","0.002","18.968","0.006","28.635","0.009","90","","90","","90","","4068","2","110.15","","110.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","8-Butyl-8-(2-methyl-1<i>H</i>-inden-1-yl)-8-silatricyclo[7.4.0.0^2,3^]trideca-1(13),2,4,6,9,11-hexaene","","- C26 H26 Si -","- C26 H26 Si -","- C208 H208 Si8 -","8","1","XU4011","Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","IUCrData","2016","1","7","x161151","","10.1107/S2414314616011512","","","0.71073","MoKα","","0.1154","0.0565","","","0.1305","0.1477","","","","","","0.855","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543739","12.4962","0.0012","12.8055","0.001","17.6834","0.0017","90","","92.82","0.003","90","","2826.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-(5-Bromo-1<i>H</i>-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","","- C28 H20 Br2 Cl N3 O2 S -","- C28 H20 Br2 Cl N3 O2 S -","- C112 H80 Br8 Cl4 N12 O8 S4 -","4","1","SU4063","AaminaNaaz, Y.; Kamalraja, Jayabal; Vimala, G.; Perumal, Paramasivam T.; SubbiahPandi, A.","2-(5-Bromo-1<i>H</i>-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","IUCrData","2016","1","7","x161197","","10.1107/S2414314616011974","","","0.71073","MoKα","","0.1261","0.0698","","","0.0953","0.1069","","","","","","1.148","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543740","4.9667","0.0006","23.701","0.003","7.1113","0.0008","90","","104.189","0.004","90","","811.57","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)","IUCrData","2016","1","7","x161190","","10.1107/S2414314616011901","","","0.71073","MoKα","","0.0735","0.0641","","","0.1512","0.1561","","","","","","1.168","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543752","7.5774","0.0015","13.244","0.003","13.488","0.003","90","","97.157","0.007","90","","1343","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C56 H44 Cl8 N4 O8 -","4","1","VM4012","Yeshwanthkumar, H. S.; Nagendra, P.; Siddaraju, B. P.; Chaluvaraju, K. C.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene","IUCrData","2016","1","7","x161204","","10.1107/S2414314616012049","","","0.71075","MoKα","","0.0972","0.0602","","","0.1266","0.1439","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543753","9.6138","0.0002","8.8891","0.0002","11.7292","0.0003","90","","97.127","0.001","90","","994.61","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3<i>S</i>,4<i>S</i>)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","XU4010","Rida, Mohammed; El Bakri, Youness; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","(3<i>S</i>,4<i>S</i>)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","7","x161175","","10.1107/S2414314616011755","","","1.54178","CuKα","","0.0312","0.0296","","","0.0733","0.0749","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543755","6.238","0.002","7.234","0.003","10.887","0.004","103.331","0.015","92.329","0.016","113.846","0.015","432.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-thione","","- C6 H7 N5 S -","- C6 H7 N5 S -","- C12 H14 N10 S2 -","2","1","TK4020","El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione","IUCrData","2016","1","8","x161229","","10.1107/S2414314616012293","","","0.71073","MoKα","","0.0443","0.0394","","","0.1145","0.1194","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:47",""
"1543777","13.5461","0.0015","7.7453","0.0009","19.625","0.002","90","","101.486","0.004","90","","2017.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate","","- C20 H21 N5 O6 -","- C20 H21 N5 O6 -","- C80 H84 N20 O24 -","4","1","VM4013","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate","IUCrData","2016","1","8","x161233","","10.1107/S2414314616012335","","","0.71073","MoKα","","0.0593","0.0416","","","0.1082","0.1225","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543778","7.5436","0.0003","15.6498","0.0006","10.9701","0.0004","90","","108.334","0.001","90","","1229.34","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7<i>R</i>)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7<i>H</i>,8<i>H</i>,9<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C48 H44 N20 O4 -","4","1","BH4010","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","(7<i>R</i>)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7<i>H</i>,8<i>H</i>,9<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","IUCrData","2016","1","8","x161245","","10.1107/S2414314616012451","","","0.71073","MoKα","","0.056","0.0466","","","0.1343","0.1427","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1543875","19.7608","0.0006","12.4156","0.0004","5.0776","0.0002","90","","90","","90","","1245.75","0.07","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide","","- C12 H9 Br F N O2 S -","- C12 H9 Br F N O2 S -","- C48 H36 Br4 F4 N4 O8 S4 -","4","1","LH4010","Rodrigues, Vinola Z.; Suchetan, P. A.; Saritha, L.; Lokanath, N. K.; Naveen, S.","4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide","IUCrData","2016","1","8","x161256","","10.1107/S2414314616012566","","","1.54178","CuKα","","0.0346","0.0334","","","0.0823","0.0833","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543876","9.743","0.0005","8.6535","0.0003","12.3173","0.0006","90","","111.67","0.004","90","","965.09","0.08","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methanol-κ<i>O</i>)iron(II)","","- C14 H24 B2 Fe N8 O2 -","- C14 H24 B2 Fe N8 O2 -","- C28 H48 B4 Fe2 N16 O4 -","2","0.5","BT4021","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Bis[dihydrobis(pyrazol-1-yl-κN2)borato]bis(methanol-κO)iron(II)","IUCrData","2016","1","8","x161252","","10.1107/S2414314616012529","","","0.71073","MoKα","","0.0385","0.0339","","","0.0867","0.0892","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543877","8.4549","0.0006","14.7691","0.001","16.3607","0.0009","90","","90","","90","","2043","0.2","297","1","297","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(-)-Sparteinium tetrachloridozincate monohydrate","(-)-7,15-Diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane-7,15-diium tetrachloridozincate monohydrate","","- C15 H30 Cl4 N2 O Zn -","- C15 H30 Cl4 N2 O Zn -","- C60 H120 Cl16 N8 O4 Zn4 -","4","1","WM4021","Bernès, Sylvain; Gutiérrez, René; Hernández-Téllez, Guadalupe; Moreno, Gloria E.","({-})-Sparteinium tetrachloridozincate monohydrate","IUCrData","2016","1","8","x161237","","10.1107/S2414314616012372","","","0.71073","MoKα","","0.0304","0.0265","","","0.0659","0.0679","","","","","","1.05","","","","has coordinates,has Fobs","185719","2020-10-21","18:00:00",""
"1543878","27.3649","0.0009","9.496","0.0003","10.0932","0.0003","90","","97.371","0.003","90","","2601.12","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(Pyrazin-2-yl)adamantane-1-carboxamide","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C120 H152 N24 O8 -","8","1","BT4022","Dziuk, Błażej; Ośmiałowski, Borys; Ejsmont, Krzysztof; Zarychta, Bartosz","<i>N</i>-(Pyrazin-2-yl)adamantane-1-carboxamide","IUCrData","2016","1","8","x161258","","10.1107/S241431461601258X","","","0.71073","MoKα","","0.0399","0.0318","","","0.0803","0.0821","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543884","7.5362","0.0002","15.1084","0.0004","14.5384","0.0004","90","","90","","90","","1655.34","0.08","102","2","102","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Tetra[dimethyloxyboryl]methane","Octamethyl methanetetrayltetraboronate","","- C9 H24 B4 O8 -","- C9 H24 B4 O8 -","- C36 H96 B16 O32 -","4","0.5","RZ4004","Liu, Sumeng; Girolami, Gregory S.","Tetrakis(dimethoxyboryl)methane","IUCrData","2016","1","8","x161264","","10.1107/S2414314616012645","","","1.54178","CuKα","","0.0397","0.037","","","0.0978","0.0998","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1543885","4.7764","0.001","11.75","0.003","13.067","0.003","109.917","0.01","99.766","0.011","101.71","0.01","652","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(4-fluorobenzylidene)-2-sulfanylidenethiazolidin-4-one","","- C13 H10 F N O S2 -","- C13 H10 F N O S2 -","- C26 H20 F2 N2 O2 S4 -","2","1","BT4020","El Ajlaoui, Rahhal; Belkhouya, Najat; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","(<i>Z</i>)-3-Allyl-5-(4-fluorobenzylidene)-2-sulfanylidenethiazolidin-4-one","IUCrData","2016","1","8","x161236","","10.1107/S2414314616012360","","","0.71073","MoKα","","0.0733","0.0496","","","0.1262","0.1475","","","","","","1.066","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543886","12.5891","0.0004","7.7739","0.0002","14.124","0.0004","90","","100.466","0.001","90","","1359.27","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-Hydroxy-5-methoxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Bargavi, Srinivasan; Nataraj, Poomathi; Perumal, Paramasivam T.; Lakshmi, Srinivasakannan","5-(2-Hydroxy-5-methoxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2016","1","8","x161235","","10.1107/S2414314616012359","","","0.71073","MoKα","","0.0483","0.0409","","","0.11","0.1158","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","185790","2020-10-21","18:00:00",""
"1543887","17.5105","0.0015","7.7068","0.0007","10.6885","0.0013","90","","107.553","0.001","90","","1375.3","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1'-Biphenyl-2,2',5,5'-tetracarboxylic acid","","- C16 H10 O8 -","- C16 H10 O8 -","- C64 H40 O32 -","4","0.5","ZL4011","Li, Yan-Hong; Lu, Li-Ping","1,1'-Biphenyl-2,2',5,5'-tetracarboxylic acid","IUCrData","2016","1","8","x161274","","10.1107/S2414314616012748","","","0.71073","MoKα","","0.047","0.0353","","","0.09","0.0986","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543888","9.3289","0.001","9.9031","0.001","9.8984","0.0012","90","","97.221","0.011","90","","907.21","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide","","- C20 H16 N4 O2 S -","- C20 H16 N4 O2 S -","- C40 H32 N8 O4 S2 -","2","1","","Sharma, Devinder K.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","<i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide","IUCrData","2016","1","8","x161276","","10.1107/S2414314616012761","","","0.71073","MoKα","","0.0773","0.0544","","","0.117","0.1366","","","","","","0.984","","","","has coordinates,has Fobs","185792","2020-10-21","18:00:00",""
"1543889","5.263","0.003","9.782","0.005","12.795","0.006","78.591","0.009","80.188","0.007","74.418","0.01","617.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-<i>N</i>-(isoquinolin-3-yl)butanamide","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","BT4019","Loganathan, C.; Ananad, S. Athavan Alias; Alphonsa, A. Therasa; Kabilan, S.; Selvanayagam, S.","4-Chloro-<i>N</i>-(isoquinolin-3-yl)butanamide","IUCrData","2016","1","8","x161290","","10.1107/S2414314616012906","","","0.71073","MoKα","","0.1134","0.0688","","","0.1786","0.2273","","","","","","1.011","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543890","7.9359","0.0003","9.6283","0.0004","9.6807","0.0005","88.01","0.003","74.936","0.002","81.561","0.002","706.54","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methylpyridinium 2-(4-nitrophenyl)acetate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","HB4061","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-(4-nitrophenyl)acetate","IUCrData","2016","1","8","x161203","","10.1107/S2414314616012037","","","0.71073","MoKα","","0.0924","0.0524","","","0.1209","0.144","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543901","16.442","0.011","10.991","0.007","11.722","0.008","90","","108.611","0.007","90","","2008","2","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(4-methoxyphenyl)phosphine selenide","","- C21 H21 O3 P Se -","- C21 H21 O3 P Se -","- C84 H84 O12 P4 Se4 -","4","1","","Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.","Tris(4-methoxyphenyl)phosphine selenide","IUCrData","2016","1","8","x161271","","10.1107/S2414314616012712","","","0.71075","MoKα","","0.0384","0.0328","","","0.0608","0.0649","","","","","","0.915","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543902","10.4487","0.0008","16.8817","0.0013","17.3829","0.0014","90","","90","","90","","3066.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Biphenyl-2,2'-diyl)[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II)","","- C39 H34 P2 Pt -","- C39 H34 P2 Pt -","- C156 H136 P8 Pt4 -","4","1","WM4022","Rillema, D. Paul; Moore, Curtis; Jehan, Ali","(Biphenyl-2,2'-diyl)[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II)","IUCrData","2016","1","8","x161277","","10.1107/S2414314616012773","","","0.71073","MoKα","","0.0172","0.0162","","","0.0346","0.0349","","","","","","1.039","","","","has coordinates,has Fobs","185844","2020-10-21","18:00:00",""
"1543903","4.2926","0.0004","17.7983","0.0013","14.8522","0.0013","90","","94.757","0.004","90","","1130.81","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","SU4068","Santos de Barros, Leonardo; Ramalho Freitas, Maria Clara; Rangel Campos, Vinícius; Assis da Silva, Francisco; Netto-Ferreira, José Carlos; Cesarin-Sobrinho, Darí","(<i>E</i>)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one","IUCrData","2016","1","8","x161295","","10.1107/S2414314616012955","","","0.71073","MoKα","","0.0677","0.048","","","0.1224","0.1361","","","","","","1.066","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543904","4.9685","0.0001","18.8795","0.0005","8.2913","0.0002","90","","91.448","0.002","90","","777.5","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2-Amino-thiazol-4-yl)-aceticacidhydrazide","2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide","","- C5 H8 N4 O S -","- C5 H8 N4 O S -","- C20 H32 N16 O4 S4 -","4","1","HB4068","Pallavi, G. B.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha; Latha, A. L.","2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide","IUCrData","2016","1","8","x161273","","10.1107/S2414314616012736","","","0.71073","MoKα","","0.0322","0.0299","","","0.0769","0.0788","","","","","","1.0937","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543940","12.383","0.006","13.145","0.006","26.51","0.011","90","","90","","90","","4315","3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrabromidozincate","","- C12 H32 Br4 N2 Zn -","- C12 H32 Br4 N2 Zn -","- C96 H256 Br32 N16 Zn8 -","8","1","","Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Schmidt, Horst","Bis(triethylammonium) tetrabromidozincate","IUCrData","2016","1","8","x161317","","10.1107/S2414314616013171","","","0.71073","MoKα","","0.0401","0.0238","","","0.0435","0.0453","","","","","","1.022","","","","has coordinates,has Fobs","185908","2020-10-21","18:00:00",""
"1543980","11.9289","0.0007","13.2908","0.0006","11.5","0.0006","90","","111.497","0.007","90","","1696.43","0.17","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)octanediamide","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","0.5","HB4070","Dziuk, Błażej; Ośmiałowski, Borys; Ejsmont, Krzysztof; Zarychta, Bartosz","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)octanediamide","IUCrData","2016","1","8","x161309","","10.1107/S2414314616013092","","","0.71073","MoKα","","0.0464","0.0315","","","0.0698","0.0729","","","","","","0.946","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543981","20.3301","0.001","17.4558","0.0006","20.5691","0.0011","90","","119.399","0.007","90","","6359.5","0.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)","","- C23 H46 K N3 O6 Si2 -","- C23 H46 K N3 O6 Si2 -","- C184 H368 K8 N24 O48 Si16 -","8","1","BH4011","Toney, Sydney E.; Hillesheim, Patrick C.; Guillet, Gary L.","(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)","IUCrData","2016","1","8","x161338","","10.1107/S2414314616013389","","","0.71073","MoKα","","0.0753","0.0573","","","0.1304","0.1404","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1543982","8.7638","0.0002","9.2286","0.0002","16.7192","0.0003","89.402","0.001","88.904","0.001","76.121","0.001","1312.47","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(η^2^,η^2^-cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ^2^<i>N</i>,<i>P</i>]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate","","- C26 H28 B F4 N P Rh -","- C26 H28 B F4 N P Rh -","- C52 H56 B2 F8 N2 P2 Rh2 -","2","1","BT4024","Wei, Siping; Möller, Saskia; Heller, Detlef; Drexler, Hans-Joachim","(η^2^,η^2^-Cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ^2^<i>N</i>,<i>P</i>]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate","IUCrData","2016","1","8","x161318","","10.1107/S2414314616013183","","","0.71073","MoKα","","0.0213","0.0205","","","0.0535","0.0539","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543983","13.414","0.004","12.654","0.003","9.964","0.001","90","","101.43","0.02","90","","1657.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(methanol-κ<i>O</i>)bis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)","","- C38 H32 Co N10 O2 -","- C38 H32 Co N10 O2 -","- C76 H64 Co2 N20 O4 -","2","0.5","","Peng, Zhen; Xia, Liang; Dong, Wen-Wen","Bis(methanol-κ<i>O</i>)bis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)","IUCrData","2016","1","8","x161316","","10.1107/S241431461601316X","","","0.71073","MoKα","","0.1019","0.074","","","0.1744","0.1928","","","","","","1.004","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543984","11.6245","0.0007","6.913","0.0004","13.7792","0.001","90","","106.591","0.002","90","","1061.2","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-Methyl-10<i>H</i>-phenothiazine","","- C13 H11 N S -","- C13 H11 N S -","- C52 H44 N4 S4 -","4","1","BT4023","Malikireddy, Parvathi; Siddan, Gouthaman; Madurai, Sugunalakshmi; Chandramouleeswaran, Suvasini; Srinivasakannan, Lakshmi","10-Methyl-10<i>H</i>-phenothiazine","IUCrData","2016","1","8","x161299","","10.1107/S2414314616012992","","","0.71073","MoKα","","0.0451","0.0346","","","0.0825","0.0974","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543985","8.3687","0.0007","13.0913","0.001","12.6778","0.0011","90","","99.086","0.005","90","","1371.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(1<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","BV4002","Roopashree, K. R.; Inturi, Bharathkumar; Pujar, Gurubasavaraj V.; Prem Kumar, S. R.; Devarajegowda, H. C.","<i>N</i>'-[(1<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate","IUCrData","2016","1","8","x161300","","10.1107/S2414314616013006","","","1.54178","CuKα","","0.0539","0.0429","","","0.104","0.114","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543986","9.6719","0.0007","13.4005","0.0009","11.1874","0.0008","90","","112.994","0.002","90","","1334.77","0.16","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,5-Tetramethyl-1<i>H</i>-pyrazol-2-ium triiodide","","- C7 H13 I3 N2 -","- C7 H13 I3 N2 -","- C28 H52 I12 N8 -","4","1","HB4073","Oberparleiter, Stefan; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","1,2,3,5-Tetramethyl-1<i>H</i>-pyrazol-2-ium triiodide","IUCrData","2016","1","8","x161331","","10.1107/S2414314616013316","","","0.71073","MoKα","","0.0298","0.0255","","","0.0583","0.0619","","","","","","1.235","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1543987","11.6972","0.0008","6.6637","0.0005","19.2325","0.0017","90","","103","0.002","90","","1460.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-methylpyridinium 3,4-dimethoxybenzoate","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","HB4072","Sivakumar, P.; Devi, R. Niranjana; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium 3,4-dimethoxybenzoate","IUCrData","2016","1","8","x161332","","10.1107/S2414314616013328","","","0.71073","MoKα","","0.0861","0.0483","","","0.109","0.1281","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544028","8.9453","0.0006","24.8813","0.0017","17.3105","0.0011","90","","103.135","0.002","90","","3752","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Diphenyl-4-methoxybenzamidinium nitrate","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C160 H152 N24 O32 -","8","2","","Silva, Renata S.; Sena, Jonathan X.; Rodrigues-Santos, Claudio Eduardo; Echevarria, Aurea; Guedes, Guilherme P.; Herbst, Marcelo H.","<i>N</i>,<i>N</i>'-Diphenyl-4-methoxybenzamidinium nitrate","IUCrData","2016","1","9","x161392","","10.1107/S2414314616013924","","","0.71073","MoKα","","0.1157","0.0694","","","0.1756","0.2087","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544029","21.3428","0.0008","5.7635","0.0002","28.287","0.0011","90","","91.634","0.001","90","","3478.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","2","","Hannah Clara, T.; Prasana, Johanan Christian; Reuben Jonathan, D.; Revathi, B. K.; Usha, G.","(<i>E</i>)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one","IUCrData","2016","1","9","x161371","","10.1107/S2414314616013717","","","0.71073","MoKα","","0.1042","0.0491","","","0.1375","0.1914","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544030","8.717","0.003","16.325","0.005","21.043","0.007","90","","90","","90","","2994.5","1.7","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-[4-(9,17-Dithia[3.3]metacyclophane)]-1,3-butadiyne","Bis[3,11-dithiatricyclo[11.3.1.1^5,9^]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","","- C36 H30 S4 -","- C36 H30 S4 -","- C144 H120 S16 -","4","0.5","HB4071","Moriguchi, Tetsuji; Yakeya, Daisuke; Jalli, Venkataprasad; Tsuge, Akihiko","Bis[3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","IUCrData","2016","1","9","x161378","","10.1107/S241431461601378X","","","0.71073","MoKα","","0.0568","0.0433","","","0.1125","0.1298","","","","","","1.156","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544037","5.6873","0.0001","13.809","0.0003","29.7776","0.0006","90","","90","","90","","2338.61","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<i>D</i>-glucopyranoside","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C92 H100 N4 O40 -","4","1","LH4012","Curran, Hannah; Zhang, Chenyao; Piro, Nicholas A.; Kassel, W. Scott; Giuliano, Robert M.","Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<small>D</small>-glucopyranoside","IUCrData","2016","1","8","x161363","","10.1107/S2414314616013638","","","0.71073","MoKα","","0.0505","0.0355","","","0.0703","0.077","","","","","","1.025","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544059","27.1174","0.0013","10.1914","0.0003","11.9292","0.0006","90","","94.075","0.004","90","","3288.5","0.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(2,4-Difluorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(<i>3H</i>)-one","","- C20 H11 F2 N5 O -","- C20 H11 F2 N5 O -","- C160 H88 F16 N40 O8 -","8","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Qeshta, Basem; Deigner, Hans-Peter","3-(2,4-Difluorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(<i>3H</i>)-one","IUCrData","2016","1","9","x161380","","10.1107/S2414314616013808","","","0.71073","MoKα","","0.056","0.0375","","","0.089","0.0983","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544060","15.9363","0.0008","15.9363","0.0008","16.8801","0.0008","90","","90","","90","","4287","0.4","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","(η^5^-2,4-Dimethylcyclopenta[<i>b</i>]indolyl)(η^5^-pentamethylcyclopentadienyl)zirconium(IV) dichloride","","- C23 H27 Cl2 N Zr -","- C23 H27 Cl2 N Zr -","- C184 H216 Cl16 N8 Zr8 -","8","1","FF4008","Medvedev, Michael G.; Ryabov, Alexey N.; Uborsky, Dmitry V.; Kononovich, Dmitry S.; Izmer, Vyatcheslav V.; Voskoboynikov, Alexander Z.","(η5-2,4-Dimethylcyclopenta[b]indolyl)(η5-pentamethylcyclopentadienyl)zirconium(IV) dichloride","IUCrData","2016","1","9","x161408","","10.1107/S2414314616014085","","","0.71073","MoKα","","0.0452","0.0422","","","0.0951","0.0963","","","","","","1.11","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:36",""
"1544061","7.4207","0.0006","8.8159","0.0007","12.5246","0.001","86.873","0.003","87.735","0.003","77.166","0.003","797.39","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(2-Azabicyclo[3.2.1]octa-3,6-dien-2-yl)-1,3-dimethoxyimidazolium hexafluoridophosphate","","- C12 H16 F6 N3 O2 P -","- C12 H16 F6 N3 O2 P -","- C24 H32 F12 N6 O4 P2 -","2","1","HB4076","Haslinger, Simone; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","2-(2-Azabicyclo[3.2.1]octa-3,6-dien-2-yl)-1,3-dimethoxyimidazolium hexafluoridophosphate","IUCrData","2016","1","9","x161410","","10.1107/S2414314616014103","","","0.71073","MoKα","","0.0627","0.0538","","","0.1178","0.1239","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544062","16.7541","0.0018","11.0261","0.0011","7.2064","0.0007","90","","90","","90","","1331.3","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Amino-4-methylpyridinium 4-methylbenzoate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","HB4078","Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methylbenzoate","IUCrData","2016","1","9","x161411","","10.1107/S2414314616014115","","","0.71073","MoKα","","0.0584","0.0386","","","0.0867","0.1018","","","","","","1.108","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544072","21.4745","0.0008","7.4295","0.0002","26.173","0.0011","90","","127.366","0.002","90","","3318.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(dimethylformamide-1κ<i>O</i>)(ethanol-1κ<i>O</i>)(μ~5~-2,3,5,6-tetrafluorobenzenedicarboxylato-1:2κ^2^<i>O</i>;1:3κ^2^<i>O</i>';4κ<i>O</i>'';5κ<i>O</i>''')barium(II)]","","- C13 H13 Ba F4 N O6 -","- C13 H12 Ba F4 N O6 -","- C104 H96 Ba8 F32 N8 O48 -","8","2","WM4024","Smets, Daniel; Sobieray, Miriam; Ruschewitz, Uwe","A new alkaline earth metal tetrafluoroterephthalate: [Ba(tfBDC)(DMF)(EtOH)]","IUCrData","2016","1","9","x161409","","10.1107/S2414314616014097","","","0.71073","MoKα","","0.0536","0.0383","","","0.0919","0.0989","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","186547","2020-10-21","18:00:00",""
"1544073","13.069","0.001","9.1387","0.0006","11.3367","0.0009","90","","112.841","0.003","90","","1247.81","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methylpyridinium 4-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","BT4025","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-hydroxybenzoate","IUCrData","2016","1","9","x161425","","10.1107/S2414314616014255","","","0.71073","MoKα","","0.1319","0.0686","","","0.1574","0.1985","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544074","12.14","0.001","19.298","0.0015","19.449","0.0016","90","","90","","90","","4556.5","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate","","- C51 H58 N6 O2 V -","- C51 H58 N6 O2 V -","- C204 H232 N24 O8 V4 -","4","1","HG4012","Wang, Qiuwen; Xiong, Yihan; Deng, Xuebin","Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate","IUCrData","2016","1","9","x161421","","10.1107/S2414314616014218","","","1.54187","CuKα","","0.0329","0.0297","","","0.0656","0.0678","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544144","13.856","0.002","4.5401","0.0007","11.926","0.002","90","","111.173","0.005","90","","699.59","0.19","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","BG4002","Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G.","2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium","IUCrData","2016","1","9","x161433","","10.1107/S2414314616014334","","","0.71073","MoKα","","0.0832","0.046","","","0.0843","0.1011","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544145","13.9972","0.0006","17.2985","0.0004","18.4787","0.0006","63.725","0.003","68.593","0.003","67.115","0.004","3594.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","<i>RS</i>-Efonidipine acetone hemisolvate","<i>RS</i>-2-(Phenyl-(phenylmethyl)amino)ethyl 5-(5,5-dimethyl-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-\ nitrophenyl)-1,4-dihydropyridine-3-carboxylate acetone hemisolvate","","- C35.5 H41 N3 O7.5 P -","- C35.5 H41 N3 O7.5 P -","- C142 H164 N12 O30 P4 -","4","2","XU4012","Liu, Yu-Heng; Li, Zhan-Jun; Li, Wen","(<i>RS</i>)-Efonidipine acetone hemisolvate","IUCrData","2016","1","9","x161432","","10.1107/S2414314616014322","","","1.54184","CuKα","","0.0686","0.0621","","","0.1883","0.1964","","","","","","1.053","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544146","9.78","0.003","17.698","0.005","15.819","0.004","90","","105.985","0.016","90","","2632.2","1.3","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Butyl 2-[(azidocarbonyl)amino]benzoate","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C96 H112 N32 O24 -","8","1","SJ4055","Yassine, Hasna; Khouili, Mostafa; Hafid, Abderrafia; Mentre, Olivier; Ketatni, El Mostafa","Butyl 2-[(azidocarbonyl)amino]benzoate","IUCrData","2016","1","9","x161454","","10.1107/S2414314616014541","","","0.71073","MoKα","","0.089","0.0445","","","0.1032","0.1173","","","","","","0.977","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544147","13.1126","0.0005","6.8916","0.0003","16.1831","0.0006","90","","90","","90","","1462.41","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","","- C7 H7 F N2 O2 -","- C7 H7 F N2 O2 -","- C56 H56 F8 N16 O16 -","8","1","BT4026","Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","IUCrData","2016","1","9","x161446","","10.1107/S2414314616014462","","","0.71073","MoKα","","0.0366","0.0302","","","0.0807","0.085","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544148","12.6615","0.0009","13.8008","0.0011","15.4039","0.0014","90","","111.225","0.002","90","","2509.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methylpyridinium 2-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","HB4080","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-hydroxybenzoate","IUCrData","2016","1","9","x161443","","10.1107/S2414314616014437","","","0.71073","MoKα","","0.1185","0.0601","","","0.1251","0.1607","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544190","7.3989","0.0016","9.6247","0.001","17.483","0.002","90","","91.112","0.013","90","","1244.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Posel, Maciej; Stoeckli-Evans, Helen","5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine","IUCrData","2016","1","9","x161467","","10.1107/S241431461601467X","","","0.71069","MoKα","","0.0696","0.0398","","","0.0886","0.0997","","","","","","0.979","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544191","9.995","0.0007","10.1492","0.0005","11.262","0.0008","90.656","0.005","92.291","0.005","101.925","0.005","1116.66","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-amino-2-carbamoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-5-carboxylate dimethyl sulfoxide monosolvate","","- C21 H25 N3 O5 S2 -","- C21 H25 N3 O5 S2 -","- C42 H50 N6 O10 S4 -","2","1","HG4013","Bakhite, Etify A.; Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Albayati, Mustafa R.","Ethyl 3-amino-2-carbamoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-5-carboxylate dimethyl sulfoxide monosolvate","IUCrData","2016","1","9","x161474","","10.1107/S2414314616014747","","","1.54184","CuKα","","0.0543","0.049","","","0.1322","0.1393","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544192","5.1939","0.0011","8.0697","0.0017","9.1482","0.0015","106.819","0.019","96.077","0.018","92.804","0.018","363.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide","","- C16 H10 N6 O2 -","- C16 H10 N6 O2 -","- C16 H10 N6 O2 -","1","0.5","","Posel, Maciej; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide","IUCrData","2016","1","9","x161464","","10.1107/S2414314616014644","","","0.71073","MoKα","","0.0781","0.0728","","","0.1522","0.1551","","","","","","1.404","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544193","11.3333","0.0006","16.4178","0.0009","12.765","0.0006","90","","94.14","0.005","90","","2369","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Histamine perchlorate","4-(2-Azaniumylethyl)-1<i>H</i>-imidazol-3-ium bis(perchlorate)","","- C5 H11 Cl2 N3 O8 -","- C5 H11 Cl2 N3 O8 -","- C40 H88 Cl16 N24 O64 -","8","2","HG4015","Okeke, Ugochukwu; Gultneh, Yilma; Jasinski, Jerry P.; Butcher, Ray J.","Histamine perchlorate","IUCrData","2016","1","9","x161481","","10.1107/S2414314616014814","","","0.71073","MoKα","","0.0999","0.0628","","","0.1831","0.2185","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544194","7.6303","0.0002","9.3142","0.0003","17.2518","0.0005","90.339","0.002","99.468","0.002","99.556","0.003","1191.91","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Aminopyridinium 2,4-dinitrophenolate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C44 H40 N16 O20 -","4","2","BH4014","Devi, S. Reena; Akilan, R.; Kumar, R. Mohan; Ganesh, T.; Chakkaravarthi, G.","2-Aminopyridinium 2,4-dinitrophenolate","IUCrData","2016","1","9","x161489","","10.1107/S2414314616014899","","","0.71073","MoKα","","0.1159","0.0512","","","0.1242","0.1566","","","","","","1.009","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544195","3.8639","0.001","13.933","0.004","15.019","0.004","90","","93.313","0.009","90","","807.2","0.4","120","2","120.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","VM4014","Golen, James A.; Manke, David R.","4,7-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","9","x161485","","10.1107/S2414314616014851","","","0.71073","MoKα","","0.0278","0.0251","","","0.0596","0.0613","","","","","","1.078","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544212","19.6761","0.0011","7.233","0.0004","9.9258","0.0007","90","","90","","90","","1412.61","0.15","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylic acid <i>tert</i>-butyl ester","<i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","0.5","BV4003","Jordon, Jason A.; Badenock, Jeanese C.; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","<i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate","IUCrData","2016","1","9","x161468","","10.1107/S2414314616014681","","","0.71073","MoKα","","0.0672","0.056","","","0.1389","0.1465","","","","","","1.105","","","","has coordinates,has Fobs","186802","2020-10-21","18:00:00",""
"1544213","6.6659","0.0004","7.4965","0.0005","34.7364","0.0017","90","","94.7132","0.0019","90","","1729.94","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{(1<i>E</i>,3<i>E</i>)-4-[4-(Dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-methylpyridin-1-ium iodide","","- C18 H21 I N2 -","- C18 H21 I N2 -","- C72 H84 I4 N8 -","4","1","","John Sundaram, S.; Sagayaraj, P.; Antony Raj, A.; Dravida Thendral, E. R. A.; Usha, G.","4-{(1<i>E</i>,3<i>E</i>)-4-[4-(Dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-methylpyridin-1-ium iodide","IUCrData","2016","1","9","x161463","","10.1107/S2414314616014632","","","0.71073","MoKα","","0.0431","0.0406","","","0.0788","0.0796","","","","","","1.33","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544214","8.2829","0.0002","13.8636","0.0004","15.1292","0.0004","72.328","0.001","74.922","0.001","87.252","0.001","1597.42","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","2","ZQ4012","Samba, Mohamed; Minnih, Mohamed Said; Ramli, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","9","x161448","","10.1107/S2414314616014486","","","0.71073","MoKα","","0.0658","0.0472","","","0.1419","0.1514","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544215","26.2392","0.0008","5.1197","0.0001","14.2546","0.0004","90","","103.826","0.001","90","","1859.43","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6-Methyl-1-benzofuran-3-yl acetic acid","","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(6-Methyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","9","x161434","","10.1107/S2414314616014346","","","0.71073","MoKα","","0.0518","0.0387","","","0.1034","0.1153","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544216","10.6503","0.0002","10.6112","0.0002","11.2086","0.0002","90","","97.857","0.002","90","","1254.82","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Methyl-<i>N</i>-(pyrazin-2-yl)propanamide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1)","","- C11 H11 F2 I N3 O -","- C11 H11 F2 I N3 O -","- C44 H44 F8 I4 N12 O4 -","4","1","BT4027","Dziuk, Błażej; Ośmiałowski, Borys; Zarychta, Bartosz; Ejsmont, Krzysztof","2-Methyl-<i>N</i>-(pyrazin-2-yl)propanamide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1)","IUCrData","2016","1","9","x161466","","10.1107/S2414314616014668","","","0.71073","MoKα","","0.016","0.0145","","","0.0359","0.0363","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","186806","2020-10-21","18:00:00",""
"1544217","7.2101","0.0003","8.2105","0.0003","20.5363","0.0008","90","","90.619","0.001","90","","1215.65","0.08","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2,3-Dibromoallyl)sulfanyl]-1-methyl-1<i>H</i>-imidazol-3-ium bromide","","- C7 H9 Br3 N2 S -","- C7 H9 Br3 N2 S -","- C28 H36 Br12 N8 S4 -","4","1","SJ4057","Oberparleiter, Stefan; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","(<i>E</i>)-2-[(2,3-Dibromoallyl)sulfanyl]-1-methyl-1<i>H</i>-imidazol-3-ium bromide","IUCrData","2016","1","9","x161499","","10.1107/S2414314616014991","","","0.71073","MoKα","","0.0266","0.0214","","","0.0507","0.0524","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544218","9.4212","0.0017","12.062","0.002","16.116","0.003","107.369","0.003","95.857","0.003","107.938","0.004","1624.5","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","{6,6'-Dimethyl-2,2'-bis[(2-oxidobenzylidene)amino]-1,1'-biphenyl-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(propan-2-olato-κ<i>O</i>)titanium(IV) <i>n</i>-hexane hemisolvate","","- C37 H43 N2 O4 Ti -","- C37 H43 N2 O4 Ti -","- C74 H86 N4 O8 Ti2 -","2","1","WM4027","Chen, Liang; Deng, Xuebin","{6,6'-Dimethyl-2,2'-bis[(2-oxidobenzylidene)amino]-1,1'-biphenyl-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(propan-2-olato-κ<i>O</i>)titanium(IV) <i>n</i>-hexane hemisolvate","IUCrData","2016","1","9","x161482","","10.1107/S2414314616014826","","","0.71073","MoKα","","0.0896","0.0635","","","0.1611","0.1764","","","","","","1.053","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544227","6.494","0.004","17.665","0.01","13.508","0.008","90","","92.402","0.009","90","","1548.2","1.6","300.15","","300.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2-Butyl-4-chloro-1<i>H</i>-imidazol-5-yl)methylidene]-<i>N</i>-methylhydrazine-1-carbothioamide monohydrate","","- C10 H18 Cl N5 O S -","- C10 H18 Cl N5 O S -","- C40 H72 Cl4 N20 O4 S4 -","4","1","","Aabaka, Sreenath Reddy; Yaaratha, Sarala; Krishna, L. Sivarama; Das, Samar K.; Ammireddy, Varada Reddy","(<i>E</i>)-2-[(2-Butyl-4-chloro-1<i>H</i>-imidazol-5-yl)methylidene]-<i>N</i>-methylhydrazine-1-carbothioamide monohydrate","IUCrData","2016","1","9","x161514","","10.1107/S2414314616015145","","","0.71073","MoKα","","0.0645","0.0486","","","0.1383","0.1504","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544228","11.0789","0.0017","4.9866","0.0008","15.049","0.002","90","","108.041","0.007","90","","790.5","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","SJ4060","Golen, James A.; Manke, David R.","5,7-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","9","x161510","","10.1107/S2414314616015108","","","1.54178","CuKα","","0.0396","0.0353","","","0.0836","0.0861","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544229","7.4849","0.0008","16.1306","0.0016","10.4904","0.001","90","","109.234","0.003","90","","1195.9","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylanilinium 2-hydroxysuccinate","4-Methylanilinium 3-carboxy-2-hydroxypropanoate","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","VM4015","Kalaiyarasi, S.; Devi, S. Reena; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 3-carboxy-2-hydroxypropanoate","IUCrData","2016","1","9","x161525","","10.1107/S241431461601525X","","","0.71073","MoKα","","0.0944","0.0483","","","0.1162","0.1363","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544230","16.109","0.0009","11.2205","0.0005","10.7515","0.0005","90","","104.888","0.002","90","","1878.11","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,3,4-trimethoxybenzylidene)benzohydrazide monohydrate","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","BT4029","Veeramanikandan, S.; Sherine, H. Benita; Gunasekaran, B.; Chakkaravarthi, G.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,3,4-trimethoxybenzylidene)benzohydrazide monohydrate","IUCrData","2016","1","9","x161526","","10.1107/S2414314616015261","","","0.71073","MoKα","","0.1157","0.0486","","","0.113","0.1446","","","","","","0.99","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544231","5.9136","0.0001","19.1658","0.0004","10.8946","0.0002","90","","91.852","0.002","90","","1234.14","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>-Dicyclohexylnitramine","<i>N</i>-Cyclohexyl-<i>N</i>-nitrocyclohexanamine","","- C12 H22 N2 O2 -","- C12 H22 N2 O2 -","- C48 H88 N8 O8 -","4","1","HB4079","Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław; Zarychta, Bartosz","<i>N</i>,<i>N</i>-Dicyclohexylnitramine","IUCrData","2016","1","9","x161513","","10.1107/S2414314616015133","","","0.71073","MoKα","","0.0464","0.034","","","0.0808","0.0841","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544243","19.5521","0.0012","15.1072","0.0005","15.5543","0.0009","90","","126.057","0.004","90","","3714.3","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","","- C20 H10 Cl3 N5 O -","- C20 H10 Cl3 N5 O -","- C160 H80 Cl24 N40 O8 -","8","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Qeshta, Basem; Wahedy, Kanan M.; Almasri, Ihab M.; Morjan, Rami Y.; Deigner, Hans-Peter","1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","IUCrData","2016","1","10","x161529","","10.1107/S2414314616015297","","","0.71073","MoKα","","0.059","0.0413","","","0.104","0.1133","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544244","3.9059","0.0008","13.493","0.003","13.767","0.003","92.212","0.007","93.163","0.007","93.016","0.007","722.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","Diethyl 2,2'-bipyridine-4,4'-dicarboxylate","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","Rillema, D. Paul; Moore, Curtis; KomReddy, Venugopal","Diethyl 2,2'-bipyridine-4,4'-dicarboxylate","IUCrData","2016","1","10","x161547","","10.1107/S2414314616015479","","","0.71073","MoKα","","0.1059","0.0568","","","0.1226","0.1413","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544251","4.6056","0.0003","24.7911","0.0013","13.7523","0.0007","90","","98.751","0.003","90","","1551.93","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","HB4081","Koh, Dongsoo","(<i>E</i>)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","IUCrData","2016","1","10","x161492","","10.1107/S2414314616014929","","","0.71073","MoKα","","0.1004","0.0499","","","0.1057","0.1263","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544252","8.2241","0.0004","12.2161","0.0007","12.3952","0.0008","115.507","0.006","93.532","0.004","96.914","0.004","1106.77","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Nitrophenyl)-2-({4-phenyl-5-[(<i>p</i>-tolyloxy)methyl]-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetamide","","- C24 H21 N5 O4 S -","- C24 H21 N5 O4 S -","- C48 H42 N10 O8 S2 -","2","1","SJ4062","Al-Taifi, Elham A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.","1-(4-Nitrophenyl)-2-({4-phenyl-5-[(<i>p</i>-tolyloxy)methyl]-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetamide","IUCrData","2016","1","10","x161533","","10.1107/S2414314616015339","","","1.54184","CuKα","","0.0479","0.0382","","","0.0956","0.1019","","","","","","1.021","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544253","11.0662","0.0005","11.1661","0.0005","11.2508","0.0005","65.2268","0.0006","67.0573","0.0006","71.9789","0.0006","1144.57","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[1-Phenyl-2,5-bis(trimethylsilyl)pent-2-en-4-yn-1-yl]aniline","","- C23 H31 N Si2 -","- C23 H31 N Si2 -","- C46 H62 N2 Si4 -","2","1","","Burlakov, Vladimir V.; Spannenberg, Anke; Bogdanov, Vyacheslav S.; Andreev, Maxim V.; Arndt, Perdita; Rosenthal, Uwe","<i>N</i>-[1-Phenyl-2,5-bis(trimethylsilyl)pent-2-en-4-yn-1-yl]aniline","IUCrData","2016","1","10","x161559","","10.1107/S2414314616015595","","","0.71073","MoKα","","0.042","0.0321","","","0.079","0.0856","","","","","","1.033","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544254","8.1712","0.0004","20.1515","0.0009","9.136","0.0004","90","","105.806","0.005","90","","1447.47","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diisopropylammonium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C48 H88 N8 O12 S4 -","4","1","","Sarr, Bougar; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Blanchard, Florent; Michaud, Francois","Diisopropylammonium 4-aminobenzenesulfonate","IUCrData","2016","1","10","x161545","","10.1107/S2414314616015455","","","0.71073","MoKα","","0.0649","0.0497","","","0.1232","0.136","","","","","","1.035","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544255","11.5383","0.0007","7.9873","0.0005","28.3149","0.0019","90","","90.525","0.003","90","","2609.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-phenylquinoline-4-carboxylate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","2","TK4021","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Al-badrany, Khalid A.; Ahmed, Ehab A.","Methyl 2-phenylquinoline-4-carboxylate","IUCrData","2016","1","10","x161500","","10.1107/S2414314616015005","","","1.54178","CuKα","","0.0548","0.0431","","","0.105","0.1136","","","","","","1.042","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544256","6.1146","0.0009","28.3272","0.001","5.9614","0.0008","90","","90","","90","","1032.6","0.2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","BH4013","Fujii, Isao","(<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate","IUCrData","2016","1","10","x161516","","10.1107/S2414314616015169","","","1.54184","CuKα","","0.0313","0.0285","","","0.0779","0.0818","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544273","11.752","0.003","12.212","0.004","13.257","0.003","85.95","0.02","87.98","0.02","70.17","0.02","1785.2","0.9","294","","294","","","","","","","","","7","P -1","-P 1","2","","Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate","","- C28 H80 Co Cr2 N12 O14 S18 -","- C28 H80 Co Cr2 N12 O14 S18 -","- C28 H80 Co Cr2 N12 O14 S18 -","1","0.5","SJ4061","Rusanova, Julia A.; Dyakonenko, Viktoriya V.; Semenaka, Valentina V.","Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate","IUCrData","2016","1","10","x161571","","10.1107/S2414314616015716","","","0.71073","MoKα","","0.1556","0.0693","","","0.1616","0.1954","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544274","6.2844","0.0002","11.7141","0.0005","21.6006","0.001","90","","90","","90","","1590.15","0.11","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one","","- C18 H16 Cl F2 N O -","- C18 H16 Cl F2 N O -","- C72 H64 Cl4 F8 N4 O4 -","4","1","BV4004","Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Kaur, Manpreet; Jasinski, Jerry P.","3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one","IUCrData","2016","1","10","x161580","","10.1107/S2414314616015807","","","1.54184","CuKα","","0.0512","0.0488","","","0.1198","0.1224","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544275","9.938","0.002","10.085","0.002","14.23","0.004","80.194","0.003","86.588","0.003","81.534","0.003","1389.2","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile","","- C32 H35 N3 O5 -","- C32 H35 N3 O5 -","- C64 H70 N6 O10 -","2","1","","Zhang, Xin; Wu, Zhi-Chao","(<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile","IUCrData","2016","1","10","x161598","","10.1107/S2414314616015984","","","0.71073","MoKα","","0.095","0.0519","","","0.1361","0.1549","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544276","7.53614","0.00016","30.5246","0.0006","15.4918","0.0004","90","","90","","90","","3563.7","0.14","173","","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate","","- C38 H28 Cl2 Cu N8 O4 -","- C38 H28 Cl2 Cu N8 O4 -","- C152 H112 Cl8 Cu4 N32 O16 -","4","0.5","BT4028","Ohtsu, Hideki; Tezuka, Yosuke; Narita, Michitari; Tsuge, Kiyoshi; Tanaka, Koji","Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate","IUCrData","2016","1","10","x161562","","10.1107/S2414314616015625","","","0.71075","MoKα","","0.055","0.0432","","","0.124","0.1317","","","","","","1.056","","","","has coordinates,has Fobs","187283","2020-10-21","18:00:00",""
"1544288","9.6854","0.0005","10.9169","0.0006","13.145","0.0007","79.029","0.004","75.615","0.003","85.345","0.004","1320.86","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,5-Dimethylanilinium 4-hydroxybenzoate–2,5-dimethylaniline–4-hydroxybenzoic acid (1/1/1)","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C60 H68 N4 O12 -","2","1","HB4085","Mani, A.; Rajesh, K.; Kumar, P. Praveen; Chakkaravarthi, G.","2,5-Dimethylanilinium 4-hydroxybenzoate–2,5-dimethylaniline–4-hydroxybenzoic acid (1/1/1)","IUCrData","2016","1","10","x161607","","10.1107/S2414314616016072","","","0.71073","MoKα","","0.1229","0.0586","","","0.1193","0.1446","","","","","","1.014","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544289","9.1166","0.0018","10.022","0.002","10.781","0.002","116.951","0.002","97.13","0.002","102.195","0.002","830.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide","","- C16 H14 N8 O2 -","- C16 H14 N8 O2 -","- C32 H28 N16 O4 -","2","1","SJ4064","Wang, Zhaodong; Yang, Yanshuang; Lin, Huanzhu","<i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide","IUCrData","2016","1","10","x161588","","10.1107/S2414314616015881","","","0.71073","MoKα","","0.0603","0.0405","","","0.1167","0.1318","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544290","10.5321","0.0015","18.794","0.003","9.0491","0.0012","90","","113.903","0.005","90","","1637.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate monohydrate","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","XU4017","Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa","Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate monohydrate","IUCrData","2016","1","10","x161619","","10.1107/S2414314616016199","","","0.71073","MoKα","","0.1065","0.0561","","","0.1452","0.1664","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544291","13.6564","0.0006","12.3755","0.0004","7.7281","0.0003","90","","117.586","0.001","90","","1157.61","0.08","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Benzene-1,2-diaminium phosphite","Benzene-1,2-diaminium bis(hydrogen phosphonate)","","- C6 H14 N2 O6 P2 -","- C6 H14 N2 O6 P2 -","- C24 H56 N8 O24 P8 -","4","0.5","VM4016","Zahid, Md.; Akilan, R.; Ganesh, T.; Kumar, R. Mohan; Chakkaravarthi, G.","Benzene-1,2-diaminium bis(hydrogen phosphonate)","IUCrData","2016","1","10","x161591","","10.1107/S2414314616015911","","","0.71073","MoKα","","0.0349","0.03","","","0.0879","0.0922","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544292","12.35","0.003","4.8107","0.0013","42.812","0.011","90","","97.569","0.009","90","","2521.4","1.1","173","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate]","","- C28 H23 N9 O4 -","- C28 H23 N9 O4 -","- C112 H92 N36 O16 -","4","0.5","SU4081","Janzen, Daron E.; Lange, Kayla A.; Wollack, James W.","Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate]","IUCrData","2016","1","10","x161570","","10.1107/S2414314616015704","","","0.71075","MoKα","","0.0757","0.0596","","","0.1232","0.1283","","","","","","1.185","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544293","12.5178","0.0011","7.8321","0.0009","12.6354","0.0015","90","","107.763","0.008","90","","1179.7","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate","","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","- C40 H44 Cl4 N8 O16 -","4","1","","Posel, Maciej; Stoeckli-Evans, Helen","2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate","IUCrData","2016","1","10","x161543","","10.1107/S2414314616015431","","","0.71073","MoKα","","0.1173","0.0716","","","0.1382","0.1676","","","","","","1.129","","","","has coordinates,has Fobs","187349","2020-10-21","18:00:00",""
"1544294","8.8895","0.0007","8.9652","0.0007","19.6555","0.0015","95.093","0.003","95.922","0.003","98.563","0.003","1532.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","7,9-Didodecyl-6-methyl-3<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","","- C30 H55 N5 O -","- C30 H55 N5 O -","- C60 H110 N10 O2 -","2","1","BH4015","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","7,9-Didodecyl-6-methyl-3<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","IUCrData","2016","1","10","x161587","","10.1107/S241431461601587X","","","1.54178","CuKα","","0.0535","0.0461","","","0.1272","0.1348","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544295","8.0774","0.001","6.5801","0.0006","21.668","0.003","90","","98.24","0.005","90","","1139.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","HG4016","Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.; Panneer Selvam, K.","(<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol","IUCrData","2016","1","10","x161595","","10.1107/S2414314616015959","","","0.71073","MoKα","","0.0963","0.0462","","","0.1063","0.1351","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544308","7.1432","0.0002","13.35","0.0005","29.4794","0.001","90","","90","","90","","2811.21","0.16","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Creatinium-4-methylbenzenesulfonate","{Amino[(carboxymethyl)(methyl)amino]methylidene}azanium 4-methylbenzenesulfonate","","- C11 H17 N3 O5 S -","- C11 H17 N3 O5 S -","- C88 H136 N24 O40 S8 -","8","1","HB4086","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","Creatinium 4-methylbenzenesulfonate","IUCrData","2016","1","10","x161622","","10.1107/S2414314616016229","","","0.71073","MoKα","","0.0457","0.0381","","","0.0995","0.1079","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544309","7.6704","0.0008","13.2898","0.0013","9.0627","0.0009","90","","107.22","0.006","90","","882.42","0.16","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C46 H34 N6 O2 -","2","1","SU4080","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Ahmed, Ehab A.","(<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide","IUCrData","2016","1","10","x161544","","10.1107/S2414314616015443","","","1.54178","CuKα","","0.0428","0.0369","","","0.0817","0.0868","","","","","","1.074","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544310","11.791","0.005","15.005","0.005","14.711","0.005","90","0.005","92.716","0.005","90","0.005","2599.8","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline)","","- C28 H33 Cl N4 -","- C28 H33 Cl N4 -","- C112 H132 Cl4 N16 -","4","1","","Hu, Lei; Wang, Hui; Zhang, Qiong","4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline)","IUCrData","2016","1","10","x161590","","10.1107/S241431461601590X","","","0.71073","MoKα","","0.1714","0.0568","","","0.1361","0.2034","","","","","","0.907","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544311","6.0504","0.0011","10.2188","0.0013","10.8744","0.0016","106.062","0.012","102.923","0.014","103.358","0.014","598.14","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl (naphthalen-2-yloxy)acetate","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","HB4083","Madan Kumar, S.; Manju, N.; Kalluraya, Balakrishna; Byrappa, K.; Abdoh, M. M. M.","Ethyl (naphthalen-2-yloxy)acetate","IUCrData","2016","1","10","x161594","","10.1107/S2414314616015947","","","0.71073","MoKα","","0.1633","0.0827","","","0.1993","0.2589","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544312","6.7439","0.0002","10.8441","0.0003","17.7415","0.0006","90","","100.732","0.0013","90","","1274.77","0.07","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-4<i>H</i>-chromen-4-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C64 H36 N12 O12 -","4","1","FF4010","Koh, Dongsoo","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-4<i>H</i>-chromen-4-one","IUCrData","2016","1","10","x161625","","10.1107/S2414314616016254","","","0.71073","MoKα","","0.061","0.041","","","0.101","0.112","","","","","","1.065","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544313","9.2437","0.0008","9.2437","0.0008","47.683","0.004","90","","90","","120","","3528.5","0.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]","","- C18 H30 N10 O3 Zn2 -","- C18 H30 N10 O3 Zn2 -","- C108 H180 N60 O18 Zn12 -","6","1","WM4025","Kuramoto, Takahiro; Sadakiyo, Masaaki; Yamauchi, Miho","Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]","IUCrData","2016","1","10","x161626","","10.1107/S2414314616016266","","","0.71069","MoKα","","0.0263","0.0246","","","0.0602","0.0607","","","","","","1.034","","","","has coordinates,has Fobs","187413","2020-10-21","18:00:00",""
"1544339","8.5071","0.0003","20.9755","0.0008","8.9099","0.0004","90","","90.173","0.003","90","","1589.88","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide","","- C7 H15 F6 N3 O4 S2 -","- C7 H15 F6 N3 O4 S2 -","- C28 H60 F24 N12 O16 S8 -","4","1","","Hummel, Michael; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","[(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide","IUCrData","2016","1","10","x161658","","10.1107/S2414314616016588","","","0.71073","MoKα","","0.0351","0.0318","","","0.0669","0.0681","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544340","6.0265","0.0016","11.062","0.003","11.848","0.003","108.812","0.007","103.95","0.008","100.848","0.008","694.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6,8-dimethyl-2<i>H</i>-chromen-2-one","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","HB4087","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6,8-dimethyl-2<i>H</i>-chromen-2-one","IUCrData","2016","1","10","x161644","","10.1107/S2414314616016448","","","1.54178","CuKα","","0.0423","0.0416","","","0.1134","0.1143","","","","","","1.039","","","","has coordinates,has Fobs","187494","2020-10-21","18:00:00",""
"1544341","10.6382","0.0007","7.6075","0.0005","19.8693","0.0013","90","","93.219","0.001","90","","1605.49","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate","","- C28 H36 Co2 N8 O12 -","- C28 H36 Co2 N8 O12 -","- C56 H72 Co4 N16 O24 -","2","0.5","SJ4066","Ding, Xulong; Li, Li","Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate","IUCrData","2016","1","10","x161640","","10.1107/S2414314616016400","","","0.71073","MoKα","","0.0501","0.0334","","","0.0778","0.0859","","","","","","0.946","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544354","11.701","0.002","10.947","0.002","7.4253","0.0015","90","","107.68","0.03","90","","906.2","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Carboxy-2-(pyridinium-2-yl)-1<i>H</i>-imidazole-5-carboxylate","","- C10 H7 N3 O4 -","- C10 H7 N3 O4 -","- C40 H28 N12 O16 -","4","1","","Zhang, Kanglong; Qi, Xiaojin; Yuan, Bingnian","Zwitterionic 4-carboxy-2-(pyridinium-2-yl)-1<i>H</i>-imidazole-5-carboxylate","IUCrData","2016","1","10","x161641","","10.1107/S2414314616016412","","","0.71073","MoKα","","0.0527","0.0469","","","0.1193","0.1243","","","","","","1.002","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544355","13.1921","0.0009","7.5999","0.0005","15.2507","0.0011","90","","105.223","0.007","90","","1475.36","0.18","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 S3 -","- C7 H4 S3 -","- C56 H32 S24 -","8","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery","3<i>H</i>-1,2-Benzodithiole-3-thione","IUCrData","2016","1","10","x161688","","10.1107/S2414314616016886","","","0.71073","MoKα","","0.0626","0.0588","","0.1737","0.1688","0.1737","","","","","","1.0434","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544395","9.4893","0.0013","13.5903","0.0019","9.0554","0.0012","90","","94.896","0.002","90","","1163.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(<i>E</i>)-(3-Hydroxy-4-methoxybenzylidene)amino]-3-methylthiourea","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","1-[(<i>E</i>)-(3-Hydroxy-4-methoxybenzylidene)amino]-3-methylthiourea","IUCrData","2016","1","10","x161599","","10.1107/S2414314616015996","","","0.71073","MoKα","","0.0654","0.0434","","","0.1038","0.1206","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544396","4.5974","0.0003","30.675","0.002","13.809","0.0009","90","","91.961","0.001","90","","1946.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl)]sulfinyl}-1-(prop-2-yn-1-yl)-1<i>H</i>-benzimidazole","","- C20 H21 N3 O3 S -","- C20 H21 N3 O3 S -","- C80 H84 N12 O12 S4 -","4","1","SU4087","El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Elhafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl)]sulfinyl}-1-(prop-2-yn-1-yl)-1<i>H</i>-benzimidazole","IUCrData","2016","1","10","x161695","","10.1107/S2414314616016953","","","0.71073","MoKα","","0.1019","0.0825","","","0.2167","0.2257","","","","","","1.099","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544397","24.392","0.003","5.9336","0.0008","12.3651","0.0016","90","","100.828","0.008","90","","1757.8","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole","","- C22 H18 F N3 O -","- C22 H18 F N3 O -","- C88 H72 F4 N12 O4 -","4","1","HG4017","Gilandoust, Maryam; Naveen, S.; Harsha, K. B.; Lokanath, N. K.; Rangappa, K. S.","1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole","IUCrData","2016","1","10","x161712","","10.1107/S2414314616017120","","","1.54178","CuKα","","0.0676","0.0458","","","0.1249","0.1398","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544398","8.895","0.005","7.648","0.005","15.091","0.005","90","","98.566","0.005","90","","1015.2","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline","","- C24 H23 N3 S -","- C24 H23 N3 S -","- C48 H46 N6 S2 -","2","1","","Yao, Shun; Zhang, Xin","(<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline","IUCrData","2016","1","10","x161621","","10.1107/S2414314616016217","","","0.71069","MoKα","","0.0558","0.0441","","","0.1129","0.122","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544399","9.8203","0.0004","10.6193","0.0004","22.5202","0.0009","90","","98.098","0.001","90","","2325.09","0.16","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole","","- C10 H19 N3 -","- C10 H19 N3 -","- C80 H152 N24 -","8","2","LH5824","Guo, Zhiqiang; Li, Pengxiang; Feng, Pengcheng; Liu, Kai; Wei, Xuehong","2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole","IUCrData","2016","1","10","x161617","","10.1107/S2414314616016175","","","0.71073","MoKα","","0.0564","0.0476","","","0.1122","0.1197","","","","","","0.998","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544400","14.3387","0.0016","25.331","0.003","9.8536","0.0012","90","","90","","90","","3579","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate","","- C40 H42 N2 O11 -","- C40 H42 N2 O11 -","- C160 H168 N8 O44 -","4","1","BH4016","Kim, Jong Sik; Lee, Jai Young; Lee, So Yeon; Lee, Tae Yeon; Sim, Wonbo","5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate","IUCrData","2016","1","10","x161698","","10.1107/S2414314616016989","","","0.71073","MoKα","","0.1199","0.0473","","","0.0756","0.1055","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544401","8.9099","0.0012","24.55","0.003","7.2359","0.0011","90","","90","","90","","1582.8","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","SU4083","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one","IUCrData","2016","1","10","x161618","","10.1107/S2414314616016187","","","1.54178","CuKα","","0.0301","0.0299","","","0.0797","0.0799","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544402","34.026","0.005","10.447","0.005","8.967","0.005","90","0.005","97.601","0.005","90","0.005","3159","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>-(pyridin-3-ylmethylidene)aniline hemihydrate","","- C19 H14 N3 O0.5 S -","- C19 H14 N3 O0.5 S -","- C152 H112 N24 O4 S8 -","8","1","","Hong, Li; Xin, Zhang","(<i>E</i>)-4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>-(pyridin-3-ylmethylidene)aniline hemihydrate","IUCrData","2016","1","10","x161608","","10.1107/S2414314616016084","","","0.71069","MoKα","","0.0409","0.0338","","","0.114","0.1309","","","","","","1.089","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544403","22.8977","0.0005","5.9947","0.0001","24.0352","0.0007","90","","93.297","0.002","90","","3293.73","0.13","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Oxo-2<i>H</i>-chromen-3-yl 4-<i>tert</i>-butylbenzoate","","- C20 H18 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","ZP4009","Kambo, Konan René; Sosso, Siaka; Djandé, Abdoulaye; Kakou-Yao, Rita; Tenon, Abodou Jules","2-Oxo-2<i>H</i>-chromen-3-yl 4-<i>tert</i>-butylbenzoate","IUCrData","2016","1","10","x161633","","10.1107/S2414314616016333","","","0.71073","MoKα","","0.0514","0.0482","","","0.1248","0.1266","","","","","","1.12","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544436","8.2623","0.0008","16.1821","0.0015","9.4702","0.0009","90","","111.917","0.001","90","","1174.66","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(H2dab)[Mn2(ox)3].6H2O","Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate]","","- C10 H26 Mn2 N2 O18 -","- C10 H26 Mn2 N2 O18 -","- C20 H52 Mn4 N4 O36 -","2","0.5","SJ4065","Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi","Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate]","IUCrData","2016","1","11","x161639","","10.1107/S2414314616016394","","","0.71069","MoKα","","0.024","0.0222","","","0.0546","0.0562","","","","","","1.071","","","","has coordinates,has Fobs","187747","2020-10-21","18:00:00",""
"1544437","11.7947","0.0009","14.2221","0.0011","18.7864","0.0015","90","","90","","90","","3151.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>R</i>-Camphor-4-phenylthiosemicarbazone","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C136 H168 N24 O8 S8 -","8","1","BX4004","de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","IUCrData","2016","1","11","x161730","","10.1107/S2414314616017302","","","0.71073","MoKα","","0.0842","0.0505","","","0.0959","0.1079","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544438","8.2589","0.0009","8.3715","0.0009","18.097","0.002","87.327","0.006","82.242","0.006","63.248","0.007","1106.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-1-Dodecyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C24 H36 N2 O2 -","- C24 H36 N2 O2 -","- C48 H72 N4 O4 -","2","1","BH4017","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-1-Dodecyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","11","x161696","","10.1107/S2414314616016965","","","1.54178","CuKα","","0.0636","0.0497","","","0.1255","0.1383","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544439","13.4883","0.0002","8.23273","0.00016","16.8923","0.0003","90","","93.8","0.0017","90","","1871.69","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl {[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl}acetate","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","1","BV4005","Al-Taifi, Elham A.; Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.","Ethyl {[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl}acetate","IUCrData","2016","1","11","x161715","","10.1107/S2414314616017156","","","1.54184","CuKα","","0.0422","0.0395","","","0.1091","0.1121","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544440","14.7421","0.0006","17.5573","0.0006","21.4675","0.0009","90","","90","","90","","5556.5","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","","- C34 H27 N5 O2 -","- C34 H27 N5 O2 -","- C272 H216 N40 O16 -","8","1","SU4077","Seethalakshmi, P.; Palanivel, C.","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","IUCrData","2016","1","11","x161686","","10.1107/S2414314616016862","","","0.71073","MoKα","","0.0764","0.0402","","","0.0767","0.0951","","","","","","0.969","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544441","10.5","0.005","21.888","0.005","23.348","0.005","90","","101.145","0.005","90","","5265","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(<i>Z</i>)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III)","","- C48 H35 F12 Gd N2 O8 S4 -","- C48 H35 F12 Gd N2 O8 S4 -","- C192 H140 F48 Gd4 N8 O32 S16 -","4","1","XU4016","Wu, Da-Jun; Fang, Bin","(<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(<i>Z</i>)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate","IUCrData","2016","1","11","x161727","","10.1107/S2414314616017272","","","0.71069","MoKα","","0.0826","0.0638","","","0.1348","0.1431","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544442","20.8964","0.0016","5.9156","0.0003","21.9821","0.0017","90","","120.415","0.01","90","","2343.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(2-Methylfuran-3-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","SJ4067","Paswan, Santosh; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P.","5-(2-Methylfuran-3-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","IUCrData","2016","1","11","x161724","","10.1107/S2414314616017247","","","0.71073","MoKα","","0.0962","0.0574","","","0.1406","0.1667","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544525","8.0644","0.0003","6.941","0.0002","8.6192","0.0003","90","","105.039","0.004","90","","465.94","0.03","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4-Azaniumyl-5-methoxy-2-methylbenzenesulfonate","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C16 H22 N2 O8 S2 -","2","0.5","SU4094","Kennedy, Alan R.; Silva de Moraes, Lygia","4-Ammonio-5-methoxy-2-methylbenzenesulfonate","IUCrData","2016","1","11","x161778","","10.1107/S2414314616017788","","","0.71073","MoKα","","0.0315","0.0289","","","0.0792","0.0813","","","","","","1.098","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544526","3.9268","0.0006","20.752","0.003","12.3431","0.0019","90","","99.182","0.014","90","","992.9","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl N O S2 -","- C9 H6 Cl N O S2 -","- C36 H24 Cl4 N4 O4 S8 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","5-Anilino-4-chloro-3<i>H</i>-1,2-dithiol-3-one","IUCrData","2016","1","11","x161736","","10.1107/S2414314616017363","","","0.71073","MoKα","","0.0792","0.066","","0.1549","0.1242","0.1549","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544527","9.6524","0.0006","22.6947","0.0013","29.0945","0.0017","90","","90","","90","","6373.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclolinopeptide acetonitrile disolvate","Cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate","","- C61 H91 N11 O9 -","- C61 H91 N11 O9 -","- C244 H364 N44 O36 -","4","1","","Chitanda, Jackson Mulenga; Zhu, Jianfeng; Mausberg, Philip; Burnett, Peta-Gaye Gillian; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate","IUCrData","2016","1","11","x161706","","10.1107/S2414314616017065","","","1.54178","CuKα","","0.0811","0.0595","","","0.1537","0.1661","","","","","","1.048","","","","has coordinates,has Fobs","188340","2020-10-21","18:00:00",""
"1544528","21.1951","0.0006","4.028","0.0001","11.9433","0.0003","90","","90","","90","","1019.65","0.05","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^2^<i>S</i>:<i>S</i>]","","- C2 H8 Cl2 N4 Pb S2 -","- C2 H8 Cl2 N4 Pb S2 -","- C8 H32 Cl8 N16 Pb4 S8 -","4","1","WM4030","Zouihri, Hafid; Yamni, Khalid; Messouss, Youssef; Tijani, Najib; Messaoudi, Lahcen","Redetermination of <i>catena</i>-poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^4^<i>S</i>:<i>S</i>] at 100K","IUCrData","2016","1","11","x161745","","10.1107/S2414314616017454","","","0.71073","MoKα","","0.0204","0.0181","","","0.0406","0.0412","","","","","","1.041","","","","has coordinates,has Fobs","188341","2020-10-21","18:00:00",""
"1544529","15.071","0.003","4.4304","0.0011","27.422","0.009","90","","106.59","0.03","90","","1754.8","0.8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O4 S3 -","- C18 H18 O4 S3 -","- C72 H72 O16 S12 -","4","0.5","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","Diethyl 2,2'-(trisulfane-1,3-diyl)dibenzoate","IUCrData","2016","1","11","x161708","","10.1107/S2414314616017089","","","0.71073","MoKα","","0.1043","0.0792","","0.1664","0.1556","0.1664","","","","","","0.9946","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544530","23.9226","0.0019","7.1372","0.0006","13.0562","0.0011","90","","99.158","0.005","90","","2200.8","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","1","IS4012","Eltayeb, Naser Eltaher","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate","IUCrData","2016","1","11","x161689","","10.1107/S2414314616016898","","","0.71073","MoKα","","0.0682","0.0451","","","0.1041","0.1148","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544531","13.978","0.002","13.208","0.0019","22.137","0.003","90","","90","","90","","4087","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","WM4031","Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail","Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K","IUCrData","2016","1","11","x161735","","10.1107/S2414314616017351","","","0.71073","MoKα","","0.0508","0.0338","","","0.0805","0.0884","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544532","14.7907","0.0005","4.80351","0.00015","17.1203","0.0008","90","","92.067","0.004","90","","1215.56","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazine-5-carboxamide","","- C13 H12 N6 O -","- C13 H12 N6 O -","- C52 H48 N24 O4 -","4","1","TK4024","Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R.","6-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazine-5-carboxamide","IUCrData","2016","1","11","x161742","","10.1107/S2414314616017429","","","1.54184","CuKα","","0.0476","0.0414","","","0.1057","0.1123","","","","","","1.06","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544541","9.455","0.0005","11.9077","0.0006","12.212","0.0007","62.429","0.005","79.276","0.004","77.627","0.004","1184.46","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-(9<i>H</i>-Carbazol-9-yl)propanoic acid","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","2","HB4092","Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R.","3-(9<i>H</i>-Carbazol-9-yl)propanoic acid","IUCrData","2016","1","11","x161787","","10.1107/S2414314616017879","","","1.54184","CuKα","","0.0591","0.0445","","","0.1158","0.1251","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544542","10.804","0.0002","13.6433","0.0003","13.2159","0.0003","90","","97.8812","0.0007","90","","1929.65","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc","","- C22 H14 Cl2 N4 Zn -","- C22 H14 Cl2 N4 Zn -","- C88 H56 Cl8 N16 Zn4 -","4","1","BT4032","Tezuka, Yosuke; Tsuge, Kiyoshi; Ohtsu, Hideki","[2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc","IUCrData","2016","1","11","x161779","","10.1107/S241431461601779X","","","0.71075","MoKα","","0.0415","0.0381","","","0.0955","0.0972","","","","","","1.119","","","","has coordinates,has Fobs","188384","2020-10-21","18:00:00",""
"1544543","14.8773","0.0002","12.2499","0.0002","19.3288","0.0003","90","","90","","90","","3522.59","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C176 H144 Fe16 O24 -","8","1","HB4093","McAdam, C. John; Simpson, Jim","Ferrocenecarboxylic anhydride: a redetermination","IUCrData","2016","1","11","x161769","","10.1107/S2414314616017697","","","1.54184","CuKα","","0.0313","0.0295","","","0.0879","0.0904","","","","","","0.843","","","","has coordinates,has Fobs","188385","2020-10-21","18:00:00",""
"1544544","6.366","0.0011","15.282","0.003","21.575","0.004","88.968","0.002","87.985","0.002","79.217","0.002","2060.5","0.7","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ^2^<i>O</i>,<i>O</i>'}cadmium(II)]-μ-<i>N</i>,<i>N</i>'-bis(pyridine-4-carboxamido)piperazine-κ^2^<i>N</i>:<i>N</i>']","","- C44 H54 Cd N4 O10 -","- C44 H54 Cd N4 O10 -","- C88 H108 Cd2 N8 O20 -","2","1","LH4013","Travis, Jamelah Z.; LaDuca, Robert L.","<i>catena</i>-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ^2^<i>O</i>,<i>O</i>'}cadmium(II)]-μ-<i>N</i>,<i>N</i>'-bis(pyridine-4-carboxamido)piperazine-κ^2^<i>N</i>:<i>N</i>']","IUCrData","2016","1","11","x161764","","10.1107/S2414314616017648","","","0.71073","MoKα","","0.0527","0.0429","","","0.1077","0.115","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","188386","2020-10-21","18:00:00",""
"1544545","7.9543","0.0007","13.3271","0.0011","8.8107","0.0007","90","","92.761","0.003","90","","932.92","0.13","200","2","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(3,4-Dimethoxyphenyl)ethanone","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","VM4018","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","1-(3,4-Dimethoxyphenyl)ethanone","IUCrData","2016","1","11","x161794","","10.1107/S2414314616017946","","","0.71073","MoKα","","0.0514","0.0355","","","0.0863","0.0955","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544546","7.5691","0.0005","7.7907","0.0005","14.904","0.001","101.911","0.005","91.311","0.005","107.224","0.005","818.06","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chloro-2-nitrophenyl)-5-[4-(propyloxy)phenyl]-1,3,4-oxadiazole","","- C17 H14 Cl N3 O4 -","- C17 H14 Cl N3 O4 -","- C34 H28 Cl2 N6 O8 -","2","1","SU4093","Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter","2-(4-Chloro-2-nitrophenyl)-5-[4-(propyloxy)phenyl]-1,3,4-oxadiazole","IUCrData","2016","1","11","x161782","","10.1107/S241431461601782X","","","0.71073","MoKα","","0.0464","0.0358","","","0.091","0.0978","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544579","11.518","0.005","25.095","0.005","23.137","0.005","90","","98.217","0.005","90","","6619","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate","","- C23 H15 N5 S2 Zn -","- C23 H15 N5 S2 Zn -","- C276 H180 N60 S24 Zn12 -","12","3","","Wang, An-ran; Wang, Cong; Li, Sheng-Li","(4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate","IUCrData","2016","1","11","x161758","","10.1107/S2414314616017582","","","0.71069","MoKα","","0.1614","0.0797","","","0.1821","0.2133","","","","","","0.98","","","","has coordinates,has Fobs","188499","2020-10-21","18:00:00",""
"1544580","8.1948","0.0009","9.563","0.0011","9.7528","0.0011","68.106","0.001","73.141","0.001","85.379","0.001","678.37","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","9-Butyl-3-nitro-9<i>H</i>-carbazole","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Ping, Zhang; Ting, Zhang; Song, Chang-Chun","9-Butyl-3-nitro-9<i>H</i>-carbazole","IUCrData","2016","1","11","x161776","","10.1107/S2414314616017764","","","0.71073","MoKα","","0.0445","0.0392","","","0.1081","0.1125","","","","","","1.086","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544581","3.7072","0.0003","11.4251","0.0009","14.3713","0.0013","70.748","0.004","88.425","0.005","83.284","0.005","570.68","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","HB4089","Eltayeb, Naser Eltaher","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate","IUCrData","2016","1","11","x161741","","10.1107/S2414314616017417","","","0.71073","MoKα","","0.074","0.0486","","","0.1075","0.1192","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544582","21.598","0.0006","7.0666","0.0002","13.3909","0.0004","90","","105.031","0.002","90","","1973.85","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-tetradecylamino-4<i>H</i>-1,2,4-triazol-1-ium chloride","","- C16 H34 Cl N5 -","- C16 H34 Cl N5 -","- C64 H136 Cl4 N20 -","4","1","HB4094","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","4-Amino-5-tetradecylamino-4<i>H</i>-1,2,4-triazol-1-ium chloride","IUCrData","2016","1","11","x161819","","10.1107/S2414314616018198","","","1.54178","CuKα","","0.0596","0.0443","","","0.1108","0.1211","","","","","","1.069","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544583","9.948","0.008","9.955","0.007","12.043","0.009","66.38","0.03","82.99","0.04","61.08","0.02","952.6","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-5-hydroxyisophthalato)[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]copper]","","- C20 H14 Cu N4 O5 -","- C20 H14 Cu N4 O5 -","- C40 H28 Cu2 N8 O10 -","2","1","","Tao, Hong-Hong; Chen, Yu-Han; Liu, Ya-Sai; Deji, Zhuo-Ga","Poly[(μ~3~-5-hydroxyisophthalato)[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]copper]","IUCrData","2016","1","11","x161802","","10.1107/S2414314616018022","","","0.71073","MoKα","","0.0832","0.0547","","","0.116","0.1301","","","","","","1.039","","","","has coordinates,has Fobs","188503","2020-10-21","18:00:00",""
"1544584","3.9166","0.0003","16.6608","0.0011","18.8096","0.0014","90","","93.232","0.007","90","","1225.44","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Ethoxy-4-fluorophenyl)-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","","- C13 H11 F N4 O -","- C13 H11 F N4 O -","- C52 H44 F4 N16 O4 -","4","1","VM4017","Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S.","5-(2-Ethoxy-4-fluorophenyl)-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","IUCrData","2016","1","11","x161770","","10.1107/S2414314616017703","","","0.71073","MoKα","","0.0878","0.0611","","","0.1527","0.1817","","","","","","1.082","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544585","7.683","0.005","17.309","0.006","11.172","0.005","90","","109.26","0.005","90","","1402.6","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylpyridinium 2-carboxy-6-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","HB4095","Devi, S. Reena; Kalaiyarasi, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylpyridinium 2-carboxy-6-nitrobenzoate","IUCrData","2016","1","11","x161803","","10.1107/S2414314616018034","","","0.71073","MoKα","","0.1051","0.0543","","","0.1276","0.1527","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544586","12.957","0.002","5.3621","0.001","14.44","0.003","90","","109.548","0.002","90","","945.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9<i>H</i>-Carbazole-9-carbaldehyde","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","2","","Wang, Cong; Wang, An-Ran; Li, Sheng-Li","9<i>H</i>-Carbazole-9-carbaldehyde","IUCrData","2016","1","11","x161757","","10.1107/S2414314616017570","","","0.71073","MoKα","","0.0299","0.0288","","","0.0746","0.0756","","","","","","1.069","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544587","9.7056","0.0006","7.7663","0.0005","20.262","0.0009","90","","93.49","0.002","90","","1524.45","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-Methyl-1-phenyl-1-(1<i>H</i>-tetrazol-1-yl)butan-2-yl]acetamide","","- C14 H19 N5 O -","- C14 H19 N5 O -","- C56 H76 N20 O4 -","4","1","RZ4006","Geetha, Selvaraj; Yuva Priya, Muniraj Krishnaveni; Chandralekha, Kuppan; Thennarasu, Sathiah; Lakshmi, Srinivasakannan","<i>N</i>-[3-Methyl-1-phenyl-1-(1<i>H</i>-tetrazol-1-yl)butan-2-yl]acetamide","IUCrData","2016","1","11","x161810","","10.1107/S2414314616018101","","","0.71073","MoKα","","0.07","0.0471","","","0.118","0.1344","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544626","21.8833","0.0008","5.7007","0.0002","16.8054","0.0006","90","","100.234","0.001","90","","2063.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-2-Benzylidene-4-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C25 H20 N4 O S -","- C25 H20 N4 O S -","- C100 H80 N16 O4 S4 -","4","1","TK4023","Sebbar, Nada Kheira; Ellouz, Mohamed; Boulhaoua, Mohammed; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-Benzylidene-4-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2016","1","11","x161823","","10.1107/S241431461601823X","","","1.54178","CuKα","","0.0679","0.0603","","","0.1491","0.154","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544627","8.678","0.002","7.9332","0.0014","8.734","0.0018","90","","98.62","0.02","90","","594.5","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one","","- C3 Cl2 O S2 -","- C3 Cl2 O S2 -","- C12 Cl8 O4 S8 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one","IUCrData","2016","1","11","x161820","","10.1107/S2414314616018204","","","0.71073","MoKα","","0.0359","0.032","","0.0938","0.0858","0.0938","","","","","","0.992","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544628","4.0062","0.0009","10.739","0.002","17.178","0.003","90","","95.237","0.018","90","","736","0.3","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 S3 -","- C7 H4 S3 -","- C28 H16 S12 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","A second polymorph of 3<i>H</i>-1,2-benzodithiole-3-thione","IUCrData","2016","1","11","x161799","","10.1107/S2414314616017995","","","0.71073","MoKα","","0.0616","0.046","","0.1012","0.0834","0.1012","","","","","","1.0147","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544650","9.362","0.0003","17.7187","0.0007","22.1796","0.0009","90","","90","","90","","3679.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","","- C43 H35 O4 P Sn -","- C43 H35 O4 P Sn -","- C172 H140 O16 P4 Sn4 -","4","1","WM4029","Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Renald, David","(2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","IUCrData","2016","1","11","x161840","","10.1107/S241431461601840X","","","0.71073","MoKα","","0.0648","0.0369","","","0.0566","0.0627","","","","","","1.048","","","","has coordinates,has Fobs","188631","2020-10-21","18:00:00",""
"1544651","8.9169","0.0002","17.636","0.0005","11.7937","0.0003","90","","109.199","0.001","90","","1751.51","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>S</i>,4<i>S</i>)-1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","BH4019","Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","11","x161849","","10.1107/S2414314616018496","","","1.54178","CuKα","","0.0353","0.033","","","0.0892","0.092","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544652","29.1709","0.0014","11.2898","0.0005","20.0517","0.001","90","","131.163","0.001","90","","4971.5","0.4","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate","","- C21 H20 Cl5 N4 Ni O1.5 -","- C21 H19 Cl5 N4 Ni O1.5 -","- C168 H152 Cl40 N32 Ni8 O12 -","8","1","WM5333","Vasileiadou, Eugenia; Angaridis, Panagiotis A.; Raptis, Raphael G.; Mathivathanan, Logesh","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate","IUCrData","2016","1","11","x161834","","10.1107/S2414314616018344","","","0.71073","MoKα","","0.0786","0.0522","","","0.1274","0.1395","","","","","","1.05","","","","has coordinates,has Fobs","188633","2020-10-21","18:00:00",""
"1544653","5.8948","0.0001","17.7215","0.0004","22.0042","0.0005","90","","90","","90","","2298.66","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C24 H24 N4 O S2 -","- C24 H24 N4 O S2 -","- C96 H96 N16 O4 S8 -","4","1","SJ4068","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; R.Albayati, Mustafa","3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","IUCrData","2016","1","11","x161835","","10.1107/S2414314616018356","","","1.54178","CuKα","","0.0751","0.0441","","","0.0974","0.1156","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544654","11.6675","0.0006","33.682","0.002","13.3653","0.0007","90","","94.184","0.004","90","","5238.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane","","- C60 H50 Cl2 Si5 -","- C60 H50 Cl2 Si5 -","- C240 H200 Cl8 Si20 -","4","1","ZS4003","Neumeyer, Felix; Kotil, Leyla; Auner, Norbert; Bolte, Michael","1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane","IUCrData","2016","1","11","x161812","","10.1107/S2414314616018125","","","0.71073","MoKα","","0.0779","0.0703","","","0.1841","0.189","","","","","","1.098","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544662","14.762","0.0004","7.3509","0.0002","17.9987","0.0005","90","","106.936","0.001","90","","1868.41","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-3-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C18 H21 N5 O S2 -","- C18 H21 N5 O S2 -","- C72 H84 N20 O4 S8 -","4","1","WM4033","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","4-Amino-3-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","IUCrData","2016","1","11","x161855","","10.1107/S2414314616018551","","","1.54178","CuKα","","0.0476","0.0455","","","0.1236","0.1253","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:48",""
"1544663","13.4306","0.0013","7.3467","0.0007","21.643","0.002","90","","103.299","0.001","90","","2078.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)methyl]-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole","","- C23 H20 N6 O S -","- C23 H20 N6 O S -","- C92 H80 N24 O4 S4 -","4","1","XU4019","Mohamed, Shaaban K.; Al-Taifi, Elham A.; Akkurt, Mehmet; Mague, Joel T.; Bakhit, Etiafy M.","1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)methyl]-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole","IUCrData","2016","1","11","x161867","","10.1107/S2414314616018678","","","0.71073","MoKα","","0.0526","0.0414","","","0.1113","0.1171","","","","","","1.089","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1544691","19.6758","0.0008","12.9382","0.0005","21.1306","0.0009","90","","117.513","0.001","90","","4770.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10-Ethyl-3,7-bis[(4-methylphenyl)carbonyl]phenothiazine","(10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone)","","- C30 H25 N O2 S -","- C30 H25 N O2 S -","- C240 H200 N8 O16 S8 -","8","2","SU4092","Hemanathan, Karunakaran; Ravivarma, Mahalingam; Satheeshkumar, Chinnadurai; Rajakumar, Perumal; Sakthi Murugesan, K.","(10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone)","IUCrData","2016","1","11","x161838","","10.1107/S2414314616018381","","","0.71073","MoKα","","0.0728","0.0458","","","0.1177","0.1409","","","","","","1.033","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544692","11.0177","0.0015","7.8508","0.0011","29.691","0.004","90","","90","","90","","2568.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C120 H112 N16 S8 -","8","1","SJ4063","Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","IUCrData","2016","1","11","x161847","","10.1107/S2414314616018472","","","0.71073","MoKα","","0.0632","0.0426","","","0.131","0.1535","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544693","5.519","0.002","21.594","0.008","9.917","0.004","90","","90.405","0.005","90","","1181.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","SU4096","Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one: <i>cis</i> isomer","IUCrData","2016","1","11","x161879","","10.1107/S2414314616018794","","","0.71073","MoKα","","0.1158","0.0838","","","0.1967","0.2114","","","","","","1.095","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544694","11.5227","0.0001","25.5293","0.0003","12.4749","0.0001","90","","90.038","0.001","90","","3669.7","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","2","ZP4010","Bakhite, Etify A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Albayati, Mustafa R.","Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate","IUCrData","2016","1","11","x161884","","10.1107/S2414314616018848","","","1.54184","CuKα","","0.0478","0.0424","","","0.1147","0.1206","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544695","4.2159","0.0001","16.773","0.0005","19.4656","0.0005","90","","91.149","0.001","90","","1376.2","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-2,3-bis[(prop-2-yn-1-yl)sulfanyl]pyrido[2,3-<i>b</i>]pyrazine","","- C13 H8 Br N3 S2 -","- C13 H8 Br N3 S2 -","- C52 H32 Br4 N12 S8 -","4","1","SJ4070","Sikine, Meriem; Mague, Joel T.; Kandri Rodi, Youssef; Essassi, El Mokhtar; Ouzidan, Younes","7-Bromo-2,3-bis[(prop-2-yn-1-yl)sulfanyl]pyrido[2,3-<i>b</i>]pyrazine","IUCrData","2016","1","11","x161881","","10.1107/S2414314616018812","","","1.54178","CuKα","","0.0354","0.0325","","","0.0839","0.0857","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544696","5.5382","0.0002","28.864","0.0013","6.6112","0.0003","90","","111.935","0.001","90","","980.32","0.07","106","2","106","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-Dibromo-3-phenylpropanoic acid","","- C9 H8 Br2 O2 -","- C9 H8 Br2 O2 -","- C36 H32 Br8 O8 -","4","1","SU4098","Howard, Trent R.; Mendez-deMello, Kaleh A.; Cardenas, Allan Jay P.","2,3-Dibromo-3-phenylpropanoic acid: a monoclinic polymorph","IUCrData","2016","1","11","x161885","","10.1107/S241431461601885X","","","0.71073","MoKα","","0.0356","0.0329","","","0.0904","0.0925","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544697","17.6487","0.0008","8.8259","0.0003","18.973","0.0008","90","","93.616","0.002","90","","2949.5","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate","","- C22 H28 Cl4 Cu N O S4 -","- C22 H28 Cl4 Cu N O S4 -","- C88 H112 Cl16 Cu4 N4 O4 S16 -","4","1","SU4095","Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate","IUCrData","2016","1","11","x161883","","10.1107/S2414314616018836","","","0.71073","MoKα","","0.0656","0.0368","","","0.0845","0.0959","","","","","","1.009","","","","has coordinates,has Fobs","188759","2020-10-21","18:00:00",""
"1544709","9.0504","0.0002","9.0612","0.0001","14.3565","0.0002","90","","90","","90","","1177.34","0.03","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","1","","Bouayyadi, Abdellatif; Moussaif, Ahmed; Mesfioui, Abdelhalim; Mzibri, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one","IUCrData","2016","1","12","x161895","","10.1107/S2414314616018952","","","0.71073","MoKα","","0.0388","0.0354","","","0.0965","0.0995","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544710","4.4865","0.0002","15.7001","0.0005","13.6313","0.0005","90","","91.481","0.002","90","","959.85","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[di-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>'-μ~3~-thiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]","","- C5 H10 N2 O4 Pb S -","- C5 H10 N2 O4 Pb S -","- C20 H40 N8 O16 Pb4 S4 -","4","1","SJ4071","Zouihri, Hafid; Ait Mouha, Mbark; Ba Mohamed, Bouchra; Yamni, Khalid; Tijani, Najib","Poly[di-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>'-μ~3~-thiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]: a redetermination","IUCrData","2016","1","12","x161892","","10.1107/S2414314616018927","","","0.71073","MoKα","","0.0162","0.0153","","","0.0368","0.0371","","","","","","1.075","","","","has coordinates,has Fobs","189976","2020-10-21","18:00:00",""
"1544763","15.869","0.003","9.991","0.002","12.328","0.003","90","","117.79","0.03","90","","1729.1","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 4,4'-(dimethylsilanediyl)dibenzoate","","- C18 H20 O4 Si -","- C18 H20 O4 Si -","- C72 H80 O16 Si4 -","4","0.5","HB4082","Zhang, Lingling; Xia, Yan; Li, Dongfeng; Hou, Ruibin","Dimethyl 4,4'-(dimethylsilanediyl)dibenzoate","IUCrData","2016","1","12","x161887","","10.1107/S2414314616018873","","","0.71073","MoKα","","0.0502","0.0436","","","0.1255","0.13","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544764","15.4222","0.0005","27.9355","0.0009","26.9314","0.0009","90","","93.4633","0.0013","90","","11581.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}{3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κ<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate","","- C134.9 H151.6 O11 P3 Rh -","- C134.9 H151.6 O11 P3 Rh -","- C539.6 H606.4 O44 P12 Rh4 -","4","1","RZ4007","Selent, Detlef; Spannenberg, Anke; Börner, Armin","{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κ<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate","IUCrData","2016","1","12","x161914","","10.1107/S2414314616019143","","","0.71073","MoKα","","0.0551","0.0428","","","0.1098","0.12","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","189035","2020-10-21","18:00:00",""
"1544765","10.4566","0.0002","5.9821","0.0001","12.204","0.0003","90","","97.46","0.001","90","","756.93","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","BV4006","Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","IUCrData","2016","1","12","x161924","","10.1107/S2414314616019246","","","0.71073","MoKα","","0.0638","0.042","","","0.1075","0.1215","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544766","8.6944","0.0001","8.6944","0.0001","35.2843","0.0007","90","","90","","90","","2667.23","0.07","100","1","100","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","2-Amino-5-bromopyridinium 2-phenoxyacetate","","- C13 H13 Br N2 O3 -","- C13 H13 Br N2 O3 -","- C104 H104 Br8 N16 O24 -","8","1","IS5465","Dhanabalan, Nallathambi; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Santhanaraj, K. Joseph; Razak, Ibrahim Abdul","2-Amino-5-bromopyridinium 2-phenoxyacetate","IUCrData","2016","1","12","x161939","","10.1107/S2414314616019398","","","0.71073","MoKα","","0.0626","0.0423","","","0.0679","0.0779","","","","","","1.165","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544767","6.1364","0.0005","5.1034","0.0004","25.458","0.003","90","","95.937","0.008","90","","792.98","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenyl)acetic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","HB4100","Kennedy, Alan R.; Silva de Moraes, Lygia","A monoclinic polymorph of 2-(4-nitrophenyl)acetic acid","IUCrData","2016","1","12","x161932","","10.1107/S2414314616019325","","","0.71073","MoKα","","0.1091","0.0536","","","0.1059","0.1302","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544768","7.2438","0.0004","13.998","0.0008","20.1035","0.0011","81.913","0.002","86.409","0.002","78.801","0.002","1978.46","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]selenadiazol]-3-ium iodide triiodide (3/2/1)","","- C27 H45 I5 N6 Se3 -","- C27 H45 I5 N6 Se3 -","- C54 H90 I10 N12 Se6 -","2","1","","Schollmeyer, Dieter; Detert, Heiner","3-Methyl-4,5,6,7,8,9-hexahydrocycloocta[<i>d</i>][1,2,3]selenadiazol]-3-ium iodide triiodide (3/2/1)","IUCrData","2016","1","12","x161950","","10.1107/S2414314616019507","","","0.71073","MoKα","","0.0668","0.0569","","","0.144","0.1486","","","","","","1.162","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544769","7.467","0.0002","8.8307","0.0003","10.5426","0.0003","106.833","0.002","108.557","0.002","99.42","0.002","605.2","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C24 H28 N4 O8 -","2","1","SU4105","Novina, J. J.; Vasuki, G.; Suresh, M.; Viswanathan, Vijayan; Velmurugan, Devadasan","Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate: a triclinic polymorph","IUCrData","2016","1","12","x161937","","10.1107/S2414314616019374","","","0.71073","MoKα","","0.0476","0.0415","","","0.117","0.1228","","","","","","1.078","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544770","5.0941","0.001","22.946","0.005","15.831","0.003","90","","96.229","0.004","90","","1839.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Cl2 Hg N3 -","- C19 H11 Cl2 Hg N3 -","- C76 H44 Cl8 Hg4 N12 -","4","1","","Zhang, Peng; Yang, Qi; Zhao, Minjian","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-3,5-bis[2-(pyridin-4-yl)ethynyl]pyridine-κ^2^<i>N</i>:<i>N</i>']","IUCrData","2016","1","12","x161951","","10.1107/S2414314616019519","","","0.71073","MoKα","","0.0462","0.0332","","","0.0752","0.079","","","","","","0.971","","","","has coordinates,has Fobs","189041","2020-10-21","18:00:00",""
"1544771","7.8989","0.0003","8.088","0.0003","8.2052","0.0003","90.297","0.002","113.319","0.002","98.488","0.002","474.94","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","9-Ethyl-6-methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one","","- C8 H11 N5 O -","- C8 H11 N5 O -","- C16 H22 N10 O2 -","2","1","","El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","9-Ethyl-6-methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one","IUCrData","2016","1","12","x161897","","10.1107/S2414314616018976","","","0.71073","MoKα","","0.0537","0.045","","","0.1238","0.1325","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544772","12.744","0.0008","11.482","0.0007","12.8707","0.0008","90","","118.234","0.001","90","","1659.25","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C72 H64 N16 S8 -","8","2","SU4107","Moussaif, Ahmed; Ramli, Youssef; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole","IUCrData","2016","1","12","x161948","","10.1107/S2414314616019489","","","0.71073","MoKα","","0.0822","0.0459","","","0.1182","0.1336","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544773","11.856","0.0006","11.8836","0.0006","6.8348","0.0004","90","","92.044","0.001","90","","962.36","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Ezhilarasu, Tamilarasu; Balasubramanian, Sengottuvelan","3-Methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde","IUCrData","2016","1","12","x161919","","10.1107/S2414314616019192","","","0.71073","MoKα","","0.0476","0.0352","","","0.0831","0.0934","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544774","6.6849","0.0003","8.9428","0.0005","10.7445","0.0005","103.935","0.003","95.015","0.004","96.86","0.003","614.44","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C32 H22 N6 O2 -","2","1","SJ4073","Rida, Mohammed; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one","IUCrData","2016","1","12","x161908","","10.1107/S2414314616019088","","","1.54178","CuKα","","0.0617","0.0468","","","0.1108","0.1364","","","","","","1.086","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544777","7.1482","0.0015","10.306","0.002","19.705","0.004","90","","99.711","0.003","90","","1430.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>E</i>)-3-dimethylamino-2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)prop-2-enoate","","- C13 H17 N5 O2 -","- C13 H17 N5 O2 -","- C52 H68 N20 O8 -","4","1","IS4013","Lahmidi, Sanae; Sebbar, Nada Kheira; Harmaoui, Abdallah; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","Ethyl (2<i>E</i>)-3-dimethylamino-2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)prop-2-enoate","IUCrData","2016","1","12","x161946","","10.1107/S2414314616019465","","","0.71073","MoKα","","0.0794","0.0464","","","0.1361","0.1452","","","","","","0.868","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544778","7.2771","0.0005","9.9612","0.0007","11.9257","0.0008","78.778","0.001","75.616","0.001","72.829","0.001","793.16","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione","","- C16 H17 N O6 S -","- C16 H17 N O6 S -","- C32 H34 N2 O12 S2 -","2","1","HG4018","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein; Lebegue, Nicolas; Albayati, Mustafa R.","(5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione","IUCrData","2016","1","12","x161959","","10.1107/S2414314616019593","","","0.71073","MoKα","","0.0416","0.0371","","","0.1085","0.111","","","","","","1.124","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544779","3.9511","0.0004","14.3306","0.0011","11.367","0.001","90","","94.574","0.008","90","","641.57","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Bromo-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","","- C5 H3 Br N4 -","- C5 H3 Br N4 -","- C20 H12 Br4 N16 -","4","1","SJ4072","Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S.","5-Bromo-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","IUCrData","2016","1","12","x161944","","10.1107/S2414314616019441","","","0.71073","MoKα","","0.0494","0.0407","","","0.1047","0.1111","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544789","7.373","0.0006","10.7698","0.0007","17.1056","0.0012","90","","90","","90","","1358.28","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","SJ4077","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Hassan, Alaa A.; Abdel-Aziz, Ahmed T.; Albayati, Mustafa R.","4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","IUCrData","2016","1","12","x161968","","10.1107/S2414314616019684","","","1.54184","CuKα","","0.0801","0.0556","","","0.1231","0.1378","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544790","11.8139","0.0012","7.4803","0.0011","15.5204","0.001","90","","96.766","0.008","90","","1362","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine","","- C28 H24 N6 S4 -","- C28 H24 N6 S4 -","- C56 H48 N12 S8 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine","IUCrData","2016","1","12","x161977","","10.1107/S2414314616019775","","","0.71073","MoKα","","0.1242","0.0691","","","0.1052","0.1295","","","","","","1.139","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544791","14.6973","0.0007","5.9179","0.0003","19.8537","0.0009","90","","93.461","0.001","90","","1723.67","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","VM4019","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2016","1","12","x161988","","10.1107/S241431461601988X","","","0.71073","MoKα","","0.059","0.0438","","","0.129","0.1389","","","","","","1.069","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544792","13.6507","0.0008","18.8828","0.0011","14.5033","0.0008","90","","103.279","0.005","90","","3638.5","0.4","248","2","248","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene","","- C32 H48 O8 P2 S2 -","- C32 H48 O8 P2 S2 -","- C128 H192 O32 P8 S8 -","4","1","BT4033","Detert, Heiner; Schollmeyer, Dieter","1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene","IUCrData","2016","1","12","x161963","","10.1107/S2414314616019635","","","0.71073","MoKα","","0.2121","0.0914","","","0.2383","0.3037","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","189170","2020-10-21","18:00:00",""
"1544793","19.5024","0.0009","8.7503","0.0004","11.65","0.0006","90","","100.846","0.002","90","","1952.58","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","t(3)-Benzyl-r(2),c(6)-diphenylpiperidin-4-one oxime","3-Benzyl-2,6-diphenylpiperidin-4-one oxime","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","SU4109","Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Manimekalai, A.","<i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one oxime","IUCrData","2016","1","12","x161982","","10.1107/S2414314616019829","","","1.54178","CuKα","","0.0503","0.0439","","","0.1156","0.1237","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544794","15.204","0.0009","6.7388","0.0003","13.0699","0.0008","90","","107.951","0.007","90","","1273.91","0.13","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","manganese(II) <i>p</i>-arsanilate decahydrate","Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","","- C12 H34 As2 Mn N2 O16 -","- C12 H34 As2 Mn N2 O16 -","- C24 H68 As4 Mn2 N4 O32 -","2","0.5","BT4034","Smith, Graham; Wermuth, Urs D.","Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","IUCrData","2016","1","12","x161985","","10.1107/S2414314616019854","","","0.71073","MoKα","","0.0351","0.0272","","","0.0635","0.0679","","","","","","1.022","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544816","21.1444","0.0014","7.697","0.0005","21.2671","0.0014","90","","118.073","0.001","90","","3054","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-{6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl}acetate","","- C16 H14 Br N3 O2 -","- C16 H14 Br N3 O2 -","- C128 H112 Br8 N24 O16 -","8","2","SU4112","Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar","Ethyl 2-(6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)acetate","IUCrData","2016","1","12","x161999","","10.1107/S2414314616019994","","","0.71073","MoKα","","0.043","0.0307","","","0.0755","0.0803","","","","","","1.035","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544817","6.2796","0.0012","9.6912","0.0018","21.152","0.004","90","","95.294","0.003","90","","1281.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-3-(3-methylisoxazol-5-yl)-4-oxo-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C52 H48 Cl4 N12 O8 -","4","1","HB4105","Lahmidi, Sanae; El Ouasif, Latifa; Jilalat, Alae Eddine; Al-Garadi, Wedad; Essassi, El Mokhtar; Mague, Joel T.","2-Methyl-3-(3-methylisoxazol-5-yl)-4-oxo-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride","IUCrData","2016","1","12","x161978","","10.1107/S2414314616019787","","","0.71073","MoKα","","0.0911","0.0637","","","0.1763","0.1921","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","189280","2020-10-21","18:00:00",""
"1544818","23.3174","0.0007","8.2979","0.0002","7.226","0.0002","90","","90.899","0.001","90","","1397.95","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","BH4020","El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T.","(<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine","IUCrData","2016","1","12","x161966","","10.1107/S2414314616019660","","","1.54178","CuKα","","0.0457","0.0391","","","0.0987","0.1036","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544819","15.9745","0.0006","25.7276","0.001","7.4153","0.0003","90","","90","","90","","3047.6","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one","","- C16 H14 Cl N O S -","- C16 H14 Cl N O S -","- C128 H112 Cl8 N8 O8 S8 -","8","1","HB4098","Ravi, A. J.; Vinayaka, A. C.; Kumar, Shamantha; Sadashiva, M. P.; Devarajegowda, H. C.","(2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one","IUCrData","2016","1","12","x161994","","10.1107/S2414314616019945","","","1.54178","CuKα","","0.0497","0.0478","","","0.1309","0.1331","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544820","8.715","0.005","7.301","0.004","12.113","0.006","90","","101.209","0.009","90","","756","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2<i>H</i>-chromen-2-one","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","TK4026","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2<i>H</i>-chromen-2-one","IUCrData","2016","1","12","x161989","","10.1107/S2414314616019891","","","0.71073","MoKα","","0.0655","0.0579","","","0.1645","0.1733","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1544821","9.2491","0.0005","18.1423","0.001","14.3719","0.0007","90","","96.61","0.003","90","","2395.6","0.2","296","2","296.15","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","2","SJ4079","Boukharsa, Youness; Abba Touré, Hamadoun; Taoufik, Jamal; Benzeid, Hanane; Ansar, M'hammed","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","IUCrData","2016","1","12","x162003","","10.1107/S2414314616020034","","","0.71073","MoKα","","0.078","0.0512","","","0.1525","0.1738","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544844","12.7365","0.0007","10.5803","0.0009","18.6662","0.0011","90","","106.531","0.003","90","","2411.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine","","- C31 H27 N -","- C31 H27 N -","- C124 H108 N4 -","4","1","SJ4075","Novina, J. J.; Vasuki, G.; Singh, Prachi; Thomas, K. R. Justin","9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine","IUCrData","2016","1","12","x162006","","10.1107/S241431461602006X","","","0.71073","MoKα","","0.1211","0.0548","","","0.1446","0.1808","","","","","","0.984","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1544845","6.2439","0.0002","7.9982","0.0003","27.0113","0.001","90","","90","","90","","1348.94","0.08","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","HB4104","Koh, Dongsoo","3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one","IUCrData","2016","1","12","x162019","","10.1107/S2414314616020198","","","0.71073","MoKα","","0.0663","0.0406","","","0.0924","0.1037","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545011","9.12236","0.0001","18.7734","0.0003","7.70271","0.0001","90","","108.576","0.001","90","","1250.42","0.03","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide","","- C12 H9 Br N2 O2 S -","- C12 H9 Br N2 O2 S -","- C48 H36 Br4 N8 O8 S4 -","4","1","IS4014","Sheikh, Md. Chanmiya; Yoshimura, Toshiaki; Fujii, Takayoshi; Miyatake, Ryuta","<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide","IUCrData","2017","2","1","x162033","","10.1107/S2414314616020332","","","1.54187","CuKα","","","0.0374","","","","0.1007","","","","","","1.082","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545012","10.3476","0.0016","10.7877","0.0017","16.922","0.003","90","","106.214","0.008","90","","1813.8","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","SU4117","Janzen, Daron E.; Majerle, Rita S.; Novosad, Katie L.","<i>N</i>,<i>N</i>-Dibutylanilinium hydrogen squarate","IUCrData","2017","2","1","x162065","","10.1107/S2414314616020654","","","0.71075","MoKα","","0.0654","0.0444","","","0.0986","0.1076","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545013","11.0543","0.001","12.1612","0.001","12.3464","0.001","119.14","0.004","94.668","0.005","93.182","0.005","1436.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide","","- C14 H12 I N O3 S -","- C14 H12 I N O3 S -","- C56 H48 I4 N4 O12 S4 -","4","2","","Naveen, S.; Suresha, E.; Sudha, A. G.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide","IUCrData","2017","2","1","x162030","","10.1107/S2414314616020307","","","1.54178","CuKα","","0.0814","0.0624","","","0.1633","0.1816","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545014","10.4024","0.0015","17.797","0.002","10.2829","0.0014","90","","112.908","0.007","90","","1753.5","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one","","- C19 H20 N4 O S -","- C19 H20 N4 O S -","- C76 H80 N16 O4 S4 -","4","1","SU4113","Xu, Jianchao; Wang, Hewen","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one","IUCrData","2017","2","1","x162001","","10.1107/S2414314616020010","","","0.71073","MoKα","","0.0635","0.0447","","","0.0903","0.099","","","","","","0.971","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545015","11.139","0.007","6.979","0.004","12.546","0.008","90","","102.221","0.007","90","","953.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ<i>O</i>^2^,κ<i>O</i>^4^)cobalt(II) dihydrate","","- C10 H10 Co F12 O8 -","- C10 H10 Co F12 O8 -","- C20 H20 Co2 F24 O16 -","2","0.5","WM4036","Tominaga, Takumi; Mochida, Tomoyuki","<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate","IUCrData","2017","2","1","x170002","","10.1107/S2414314617000025","","","0.71073","MoKα","","0.033","0.0298","","","0.0773","0.0795","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545016","5.9923","0.0001","11.0704","0.0002","12.1128","0.0003","107.981","0.0009","91.3414","0.0009","97.2061","0.0009","756.6","0.03","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","","- C14 H18 Cl N3 O S -","- C14 H18 Cl N3 O S -","- C28 H36 Cl2 N6 O2 S2 -","2","1","SU4104","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","IUCrData","2017","2","1","x161997","","10.1107/S2414314616019970","","","0.71073","MoKα","","0.0603","0.0526","","","0.1263","0.1304","","","","","","1.123","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545017","7.1284","0.0002","12.2818","0.0003","18.3709","0.0005","75.625","0.002","88.538","0.002","86.553","0.002","1555.1","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","","- C15 H16 F N O2 S2 -","- C15 H16 F N O2 S2 -","- C60 H64 F4 N4 O8 S8 -","4","2","SU4119","El-Khatatneh, Nasseem; Chandra; Rajesh, B. M.; Kumar, Shamantha; Doreswamy, B. H.; Mahendra, M.","(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","IUCrData","2017","2","1","x162069","","10.1107/S2414314616020691","","","0.71073","MoKα","","0.0474","0.0363","","","0.0863","0.0935","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545018","8.4001","0.0008","9.6239","0.0009","18.0037","0.0018","90","","90","","90","","1455.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C68 H64 N8 S4 -","4","1","SJ4080","El Ghayati, Lhoussaine; Hamou Ahabchane, Noureddine; Lamine Doumbia, Mohamadou; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","IUCrData","2017","2","1","x161998","","10.1107/S2414314616019982","","","0.71073","MoKα","","0.0871","0.0454","","","0.1031","0.1165","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545019","23.44","0.003","4.6307","0.0006","10.6408","0.0013","90","","90","","90","","1155","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","HB4107","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","IUCrData","2017","2","1","x162009","","10.1107/S2414314616020095","","","0.71073","MoKα","","0.0458","0.041","","","0.1084","0.1121","","","","","","1.089","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545021","8.351","0.004","27.156","0.014","8.545","0.004","90","","99.414","0.007","90","","1911.7","1.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(2-methoxyphenyl)phosphine selenide","","- C21 H21 O3 P Se -","- C21 H21 O3 P Se -","- C84 H84 O12 P4 Se4 -","4","1","","Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.","Tris(2-methoxyphenyl)phosphine selenide","IUCrData","2017","2","1","x170009","","10.1107/S2414314617000098","","","0.71075","MoKα","","0.042","0.0341","","","0.0772","0.0836","","","","","","1.088","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545033","10.1622","0.0006","19.1448","0.0008","8.4373","0.0005","90","","102.425","0.003","90","","1603.06","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-5-(2-hydroxycyclohexanecarbonyl)-3-nitropyridin-2(1H)-one","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","SU4102","Ranjani, T. Siva; Poomathi, N.; Vimala, G.; Perumal, Paramasivam T.; Murugesan, K. Sakthi","1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2017","2","1","x170004","","10.1107/S2414314617000049","","","0.71073","MoKα","","0.056","0.0355","","","0.0815","0.0942","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545034","9.9869","0.0006","5.3008","0.0003","13.9874","0.0009","90","","93.106","0.002","90","","739.39","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenylisoxazolin-5-one","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","HB4110","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Ouasif, Latifa; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","3-Phenylisoxazolin-5-one: a redetermination","IUCrData","2017","2","1","x170032","","10.1107/S2414314617000323","","","1.54178","CuKα","","0.0382","0.0338","","","0.0849","0.0886","","","","","","1.099","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545035","8.7383","0.0006","14.1443","0.0009","19.2405","0.0013","90.732","0.001","92.181","0.001","91.394","0.001","2375.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","","- C29 H24 N2 O S -","- C29 H24 N2 O S -","- C116 H96 N8 O4 S4 -","4","2","SU4121","Akrad, Rachida; Mague, Joel T.; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Ramli, Youssef","1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","IUCrData","2017","2","1","x170033","","10.1107/S2414314617000335","","","0.71073","MoKα","","0.1064","0.0553","","","0.1371","0.1582","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545036","13.2381","0.0003","9.9265","0.0002","19.0348","0.0004","90","","100.693","0.001","90","","2457.89","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate","","- C26 H23 N5 O5 S -","- C26 H23 N5 O5 S -","- C104 H92 N20 O20 S4 -","4","1","SU4090","Seethalakshmi, P.; Palanivel, C.","1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate","IUCrData","2017","2","1","x162044","","10.1107/S2414314616020447","","","0.71073","MoKα","","0.0602","0.0484","","","0.1317","0.1431","","","","","","0.993","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545037","20.7954","0.0006","6.2107","0.0002","11.7871","0.0003","90","","90.653","0.001","90","","1522.25","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1-<i>H</i>-1,2,4-triazole-5-thione","","- C14 H21 N5 S -","- C14 H21 N5 S -","- C56 H84 N20 S4 -","4","1","HB4109","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdel-Rahman, Hamdy M.; Hawaiz, Farouq E.","4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","IUCrData","2017","2","1","x170020","","10.1107/S2414314617000207","","","1.54178","CuKα","","0.0542","0.0477","","","0.1101","0.1153","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545038","10.9903","0.0011","11.2364","0.0011","14.1608","0.0014","89.737","0.008","78.229","0.006","60.997","0.007","1488.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)","","- C33 H35 Mo O3 P -","- C33 H35 Mo O3 P -","- C66 H70 Mo2 O6 P2 -","2","1","","Whited, Matthew T.; Ruffer, Eli J.; Zhang, Jia; Rabaey, Dominique J.; Janzen, Daron E.","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)","IUCrData","2017","2","1","x170042","","10.1107/S2414314617000426","","","0.71075","MoKα","","0.0496","0.0378","","","0.0835","0.0883","","","","","","1.045","","","","has coordinates,has Fobs","190494","2020-10-21","18:00:00",""
"1545039","18.1163","0.0018","13.3947","0.0013","12.3002","0.0013","90","","104.223","0.004","90","","2893.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide","","- C13 H9 Cl I N O3 S -","- C13 H9 Cl I N O3 S -","- C104 H72 Cl8 I8 N8 O24 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail","<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide","IUCrData","2017","2","1","x170025","","10.1107/S2414314617000256","","","1.54178","CuKα","","0.0668","0.0638","","","0.1651","0.1724","","","","","","1.078","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545040","19.3473","0.0008","9.9623","0.0004","18.5845","0.0007","90","","116.194","0.002","90","","3214.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione","","- C17 H12 Cl2 O2 S -","- C17 H12 Cl2 O2 S -","- C136 H96 Cl16 O16 S8 -","8","1","SU4115","Ravi, A. J.; Vinayaka, A. C.; Roopashree, K. R.; Sadashiva, M. P.; Devarajegowda., H. C.","(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione","IUCrData","2017","2","1","x162047","","10.1107/S2414314616020472","","","1.54178","CuKα","","0.0536","0.0518","","","0.1392","0.1411","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545041","10.4412","0.0003","7.6959","0.0002","20.2651","0.0005","90","","102.311","0.002","90","","1590.95","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-2,3-dihydro-4H-pyran-5-carboxylate","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-2,3-dihydro-4H-pyran-5-carboxylate","","- C16 H17 Cl O4 -","- C16 H17 Cl O4 -","- C64 H68 Cl4 O16 -","4","1","TK4027","Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.","Ethyl 6-(4-chlorophenyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","IUCrData","2017","2","1","x170034","","10.1107/S2414314617000347","","","0.71073","MoKα","","0.0531","0.0369","","","0.0969","0.1084","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545042","13.211","0.003","13.685","0.002","6.858","0.0014","90","","92.971","0.011","90","","1238.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","HB4108","Bougueria, Hassiba; Chetioui, Souheyla; Mili, Assia; eddine Bouaoud, Salah; Merazig, Hocine","(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","IUCrData","2017","2","1","x170039","","10.1107/S2414314617000396","","","0.71073","MoKα","","0.076","0.0424","","","0.1098","0.1242","","","","","","0.971","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545043","14.7725","0.0005","9.3588","0.0003","9.8079","0.0003","90","","116.308","0.0014","90","","1215.53","0.07","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","4-[Bis(2-chloroethyl)amino]benzaldehyde","","","- C11 H13 Cl2 N O -","- C11 H13 Cl2 N O -","- C44 H52 Cl8 N4 O4 -","4","1","SU4089","Seethalakshmi, P.; Palanivel, C.","4-[Bis(2-chloroethyl)amino]benzaldehyde","IUCrData","2017","2","1","x162043","","10.1107/S2414314616020435","","","0.71073","MoKα","","0.0402","0.0378","","","0.0999","0.1025","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545044","31.531","0.003","4.2752","0.0004","14.108","0.0013","90","","90","","90","","1901.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C11 H8 F N O2 -","- C11 H8 F N O2 -","- C88 H64 F8 N8 O16 -","8","2","VM4020","Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","1","x170028","","10.1107/S2414314617000281","","","1.54178","CuKα","","0.0796","0.0726","","","0.1771","0.1888","","","","","","1.096","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545056","6.9175","0.0005","17.6267","0.0013","12.0029","0.0009","90","","91.017","0.001","90","","1463.32","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]","","- C30 H16 Hg2 N6 S4 -","- C30 H16 Hg2 N6 S4 -","- C60 H32 Hg4 N12 S8 -","2","0.5","BH4022","Tan, Shuzhi; Liu, Leili; Du, Yongli","<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]","IUCrData","2017","2","1","x170059","","10.1107/S2414314617000591","","","0.71073","MoKα","","0.0354","0.0276","","","0.0592","0.0615","","","","","","1.016","","","","has coordinates,has Fobs","190610","2020-10-21","18:00:00",""
"1545057","7.0373","0.0004","20.7068","0.0014","8.4725","0.0006","90","","92.088","0.003","90","","1233.79","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]","","- C15 H15 F O3 -","- C15 H15 F O3 -","- C60 H60 F4 O12 -","4","1","","Ayswariya, I.; Rajalakshmi, P.; Krishnakumar, R.V.; Srinivasan, N.","9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]","IUCrData","2017","2","1","x170045","","10.1107/S2414314617000451","","","0.71073","MoKα","","0.0952","0.0453","","","0.0953","0.1211","","","","","","1.005","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545117","7.4379","0.0004","18.736","0.0011","25.4469","0.0014","90","","90","","90","","3546.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","","- C20 H14 Br2 N2 O2 -","- C20 H14 Br2 N2 O2 -","- C160 H112 Br16 N16 O16 -","8","1","","Dekar, Souad; Bendia, Sabrina; Ouari, Kamel","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","IUCrData","2017","2","1","x170077","","10.1107/S2414314617000773","","","0.71073","MoKα","","0.0597","0.0365","","","0.0665","0.0722","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545118","9.2966","0.0004","23.0723","0.0011","9.8089","0.0004","90","","109.663","0.001","90","","1981.26","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C25 H15 Br N2 S -","- C25 H15 Br N2 S -","- C100 H60 Br4 N8 S4 -","4","1","SU4124","Kavitha, T.; Mayakrishnan, Sivakalai; Perumal, T. Paramasivam; Suvasini, Chandramouleeswaran; Lakshmi, Srinivasakannan","2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","IUCrData","2017","2","1","x170089","","10.1107/S241431461700089X","","","0.71073","MoKα","","0.0528","0.033","","","0.0841","0.0975","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545305","9.2595","0.0014","9.9204","0.0015","10.1731","0.0015","64.259","0.004","72.322","0.005","64.093","0.004","749.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride","","- C16 H8 Cl4 N2 -","- C16 H8 Cl4 N2 -","- C32 H16 Cl8 N4 -","2","1","BT4044","Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael","(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride","IUCrData","2017","2","2","x170274","","10.1107/S2414314617002747","","","0.71073","MoKα","","0.0315","0.0247","","","0.0649","0.0683","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545306","13.8301","0.0006","19.717","0.0009","10.2121","0.0005","90","","109.642","0.001","90","","2622.7","0.2","150","","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethylpyridinium iodide","","- C7 H10 I N -","- C7 H10 I N -","- C84 H120 I12 N12 -","12","3","SU4130","Deschner, Joshua; Choczynski, Jack M.; Wong, Calvin Y.; Hayes, Kathleen L.; Crisci, Ralph R.; Lasher, Emily M.; Dragonette, Joseph; Cardenas, Allan Jay P.","1,4-Dimethylpyridinium iodide","IUCrData","2017","2","2","x170269","","10.1107/S2414314617002693","","","0.71073","MoKα","","0.0244","0.021","","","0.0461","0.0476","","","","","","1.142","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545307","5.514","0.0011","12.418","0.003","15.372","0.003","90","","90","","90","","1052.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","HB4124","Gao, Min; Lu, Li-Ping","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","IUCrData","2017","2","2","x170271","","10.1107/S2414314617002711","","","0.72","synchrotron","","0.037","0.0357","","","0.096","0.0972","","","","","","1.105","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545308","3.8091","0.0003","10.2616","0.0009","11.9768","0.0011","90","","96.165","0.003","90","","465.44","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","0.5","HB4114","Du, Ran; Meng, Li; Lu, Li-Ping","1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene","IUCrData","2017","2","2","x170272","","10.1107/S2414314617002723","","","0.71073","MoKα","","0.0542","0.0431","","","0.1082","0.1144","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545376","17.548","0.005","8.719","0.003","12.237","0.004","90","","108.38","0.009","90","","1776.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","PK4012","El-Khatatneh, Nasseem; Vinayaka, A. C.; Chandra; Sadashiva, M. P.; Jeyaseelan, S.; Mahendra, M.","5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole","IUCrData","2017","2","2","x170278","","10.1107/S2414314617002784","","","0.71073","MoKα","","0.0621","0.0444","","","0.1171","0.1271","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545377","10.4395","0.0001","10.8739","0.0001","16.7853","0.0002","90","","95.448","0.001","90","","1896.83","0.03","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cannabidiol","2-[(1<i>R</i>,6<i>R</i>)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl]-5-pentylbenzene-1,3-diol","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","SU4129","Mayr, Tobias; Grassl, Tobias; Korber, Nikolaus; Christoffel, Volker; Bodensteiner, Michael","Cannabidiol revisited","IUCrData","2017","2","2","x170276","","10.1107/S2414314617002760","","","1.39222","CuKβ","","0.0336","0.0322","","","0.0861","0.0881","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545378","8.8003","0.0006","8.8003","0.0006","19.772","0.002","90","","90","","90","","1531.2","0.2","93","","93","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","","- C14 H6 Cl2 N2 O4 Ru -","- C14 H6 Cl2 N2 O4 Ru -","- C56 H24 Cl8 N8 O16 Ru4 -","4","0.5","","Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","IUCrData","2017","2","2","x170288","","10.1107/S2414314617002887","","","0.71075","MoKα","","","0.0249","","","","0.0613","","","","","","1.082","","","","has coordinates,has Fobs","192763","2020-10-21","18:00:00",""
"1545379","6.9962","0.0013","18.654","0.004","12.426","0.003","90","","91.273","0.005","90","","1621.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","","- C16 H23 Cl2 N O -","- C16 H23 Cl2 N O -","- C64 H92 Cl8 N4 O4 -","4","2","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","IUCrData","2017","2","2","x170255","","10.1107/S2414314617002553","","","0.71073","MoKα","","0.0594","0.0381","","","0.0835","0.0938","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545380","12.486","0.007","9.738","0.005","16.089","0.009","90","","109.518","0.006","90","","1843.8","1.7","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","FF4013","Kawashima, Takuya; Okuno, Tsunehisa","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","IUCrData","2017","2","2","x170277","","10.1107/S2414314617002772","","","0.71075","MoKα","","0.0892","0.0602","","","0.141","0.1619","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545381","17.511","0.001","8.9191","0.0007","25.2761","0.0015","90","","92.179","0.002","90","","3944.8","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one","","- C26 H14 Br2 O -","- C26 H14 Br2 O -","- C208 H112 Br16 O8 -","8","2","SU5344","Chen, Yih-Chun; Watanabe, Motonori; Wen, Yuh-Sheng; Chang, Yuan Jay","2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one","IUCrData","2017","2","2","x170301","","10.1107/S2414314617003017","","","0.71073","MoKα","","0.0402","0.0276","","","0.0589","0.0634","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545382","8.6572","0.0002","8.8108","0.0002","14.2054","0.0003","79.406","0.001","86.24","0.001","67.895","0.001","986.78","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)","","- C38 H36 Cl2 Cu N8 O12 -","- C38 H36 Cl2 Cu N8 O12 -","- C38 H36 Cl2 Cu N8 O12 -","1","0.5","ZQ4016","Chkirate, Karim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)","IUCrData","2017","2","2","x170285","","10.1107/S2414314617002851","","","1.54178","CuKα","","0.0563","0.0437","","","0.1092","0.1181","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545383","9.7147","0.0003","10.0052","0.0003","16.3078","0.0005","90","","90","","90","","1585.08","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3,3b,4,5,6,7,7a,7b-octahydro-3a<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","","- C17 H27 N O -","- C17 H27 N O -","- C68 H108 N4 O4 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","IUCrData","2017","2","2","x170275","","10.1107/S2414314617002759","","","0.71073","MoKα","","0.0412","0.0383","","","0.0997","0.1028","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545384","10.4328","0.0012","14.3157","0.0015","10.4869","0.0012","90","","117.064","0.006","90","","1394.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","HB4126","Shakuntala, K.; Kumari, Vijaya; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.","2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide","IUCrData","2017","2","2","x170311","","10.1107/S241431461700311X","","","1.54178","CuKα","","0.0756","0.0666","","","0.1767","0.1857","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545385","8.0315","0.0011","9.7147","0.0014","10.7577","0.0015","111.205","0.004","90.226","0.005","109.381","0.004","730.81","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)","","- C13 H12 Br2 N2 Sn -","- C13 H12 Br2 N2 Sn -","- C26 H24 Br4 N4 Sn2 -","2","1","ZQ4017","Ma, Xiuming","Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)","IUCrData","2017","2","2","x170316","","10.1107/S2414314617003169","","","0.71073","MoKα","","0.0313","0.0248","","","0.0525","0.0553","","","","","","1.047","","","","has coordinates,has Fobs","192770","2020-10-21","18:00:00",""
"1545386","9.5114","0.0008","12.308","0.0011","12.5537","0.0011","90","","98.962","0.003","90","","1451.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate","","- C14 H15 N O6 S -","- C14 H15 N O6 S -","- C56 H60 N4 O24 S4 -","4","1","BT4043","Kalaiyarasi, S.; Suresh, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate","IUCrData","2017","2","2","x170254","","10.1107/S2414314617002541","","","0.71073","MoKα","","0.0777","0.0512","","","0.1225","0.1417","","","","","","1.096","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545387","8.422","0.0003","10.041","0.0004","10.8799","0.0004","101.889","0.002","94.104","0.002","90.402","0.001","897.79","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C38 H40 N8 O6 -","2","1","SJ4090","Chkirate, Karim; Mague, Joel T.; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar","<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate","IUCrData","2017","2","2","x170251","","10.1107/S2414314617002516","","","1.54178","CuKα","","0.0444","0.0382","","","0.1062","0.1142","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545479","25.3512","0.0009","14.9091","0.0005","10.7525","0.0003","90","","101.725","0.002","90","","3979.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole","","- C18 H23 Cl N6 O2 -","- C18 H23 Cl N6 O2 -","- C144 H184 Cl8 N48 O16 -","8","2","HB4116","Mohamed Abdelahi, Mohamed Mokhtar; Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole","IUCrData","2017","2","2","x170146","","10.1107/S2414314617001468","","","1.54178","CuKα","","0.0955","0.0577","","","0.1045","0.1165","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545480","15.4975","0.001","7.8125","0.0005","24.1875","0.0018","90","","107.517","0.008","90","","2792.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","","- C20 H21.33333 F N O4.66667 -","- C20 H21.3333 F N O4.66667 -","- C120 H128 F6 N6 O28 -","6","3","SJ4083","Wang, Xiao-Guang; Ma, Qing-Shuang; Sun, Bin; Xu, Lei; Zhan, Feng-Tao; Zheng, Geng-Xiu","(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","IUCrData","2017","2","2","x170213","","10.1107/S2414314617002139","","","1.54184","CuKα","","0.052","0.042","","","0.1117","0.119","","","","","","1.058","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1545481","9.5679","0.0012","11.433","0.0013","12.7993","0.0015","90","","108.257","0.004","90","","1329.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Bassou, Oulemda; Chicha, Hakima; Bouissane, Latifa; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen","Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate","IUCrData","2017","2","2","x170208","","10.1107/S2414314617002085","","","0.71073","MoKα","","0.0762","0.0432","","","0.1183","0.137","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545482","11.8003","0.0012","17.9297","0.0016","9.8723","0.0008","90","","110.279","0.005","90","","1959.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol","","- C23 H20 N4 O S -","- C23 H20 N4 O S -","- C92 H80 N16 O4 S4 -","4","1","SU5342","Hou, Qian; Li, Lu; Wang, Hewen","(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol","IUCrData","2017","2","2","x170211","","10.1107/S2414314617002115","","","0.71073","MoKα","","0.051","0.0412","","","0.0942","0.0992","","","","","","1.074","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545483","8.6575","0.0002","7.1749","0.0001","25.3062","0.0005","90","","93.782","0.001","90","","1568.51","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C72 H72 N16 O4 -","4","1","SJ4087","Samba, Mohamed; Djerrari, Bahia; Minnih, Mohamed Said; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","IUCrData","2017","2","2","x170256","","10.1107/S2414314617002565","","","1.54178","CuKα","","0.0453","0.0379","","","0.0908","0.096","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545484","16.2421","0.001","16.2421","0.001","8.9182","0.0006","90","","90","","120","","2037.5","0.2","173","","173","","","","","","","","","3","P 63","P 6c","173","Patchouli alcohol","4α,8aβ,9,9-Tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-\ methanonaphthalen-1β(2<i>H</i>)-ol","","- C15 H26 O -","- C15 H26 O -","- C90 H156 O6 -","6","1","SU4069","Inoue, Yutaka","Patchouli alcohol: 4α,8aβ,9,9-tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-methanonaphthalen-1β(2<i>H</i>)-ol","IUCrData","2017","2","2","x170189","","10.1107/S2414314617001894","","","0.71075","MoKα","","0.1106","0.0684","","","0.122","0.1362","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545485","10.525","0.0009","13.4368","0.0009","20.112","0.002","71.141","0.008","89.472","0.009","76.46","0.006","2610","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)","","- C9.25 H15.25 Cl0.75 I N2 Se -","- C9.25 H15.25 Cl0.75 I N2 Se -","- C74 H122 Cl6 I8 N16 Se8 -","8","4","","Schollmeyer, Dieter; Detert, Heiner","3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)","IUCrData","2017","2","2","x170167","","10.1107/S2414314617001675","","","1.54178","CuKα","","0.1009","0.0667","","","0.1748","0.1967","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","217633","2020-10-21","18:00:00",""
"1545486","7.7193","0.0003","8.6977","0.0003","9.5907","0.0004","90.457","0.002","95.07","0.002","90.627","0.002","641.34","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","SJ4085","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E.","3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one","IUCrData","2017","2","2","x170139","","10.1107/S2414314617001390","","","1.54178","CuKα","","0.0469","0.0394","","","0.0949","0.1011","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545487","9.44","0.006","14.6051","0.0015","12.321","0.002","90","","105.68","0.03","90","","1635.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(5-Methylbenzofuran-3-yl)-N-phenethylacetamide","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","SJ4086","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","IUCrData","2017","2","2","x170200","","10.1107/S2414314617002000","","","1.5418","CuKα","","0.1166","0.0625","","","0.1393","0.1685","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545488","14.3727","0.0009","4.8669","0.0004","22.3233","0.0013","90","","118.859","0.009","90","","1367.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","","Öv Bodur, Gönül Sevde; Yavuz, Metin; Dege, Necmi; Bülbül, Hakan; Ağar, Erbil","(<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol","IUCrData","2017","2","2","x170177","","10.1107/S2414314617001778","","","0.71073","MoKα","","0.0902","0.0417","","","0.0903","0.1062","","","","","","0.942","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545489","9.5435","0.0002","9.5435","0.0002","15.9424","0.0004","90","","90","","90","","1452.01","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","","- C9 H3 Cl9 -","- C9 H3 Cl9 -","- C36 H12 Cl36 -","4","1","","Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","IUCrData","2017","2","2","x170227","","10.1107/S2414314617002279","","","0.71073","MoKα","","0.0575","0.0553","","","0.133","0.1349","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545490","7.9322","0.0002","15.2415","0.0004","13.6694","0.0004","90","","106.316","0.001","90","","1586.06","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C15 H17 N5 S -","- C15 H17 N5 S -","- C60 H68 N20 S4 -","4","1","TK4029","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M.","3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","IUCrData","2017","2","2","x170153","","10.1107/S2414314617001535","","","1.54178","CuKα","","0.0359","0.0331","","","0.0886","0.0913","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545491","7.0734","0.0008","10.4076","0.0012","6.7019","0.0012","90","","116.683","0.004","90","","440.83","0.11","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorido(<i>o</i>-phenylenediamine)palladium(II)","","- C6 H8 Cl2 N2 Pd -","- C6 H8 Cl2 N2 Pd -","- C12 H16 Cl4 N4 Pd2 -","2","0.5","WM4038","Konno, Yosuke; Matsushita, Nobuyuki","Dichlorido(<i>o</i>-phenylenediamine)palladium(II)","IUCrData","2017","2","2","x170144","","10.1107/S2414314617001444","","","0.71075","MoKα","","0.022","0.0197","","","0.0514","0.0526","","","","","","1.092","","","","has coordinates,has Fobs","193953","2020-10-21","18:00:00",""
"1545492","41.014","0.011","5.7338","0.0015","11.88","0.003","90","","94.442","0.008","90","","2785.4","1.3","176","2","176","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole","","- C18 H8 F26 N2 S3 -","- C18 H8 F26 N2 S3 -","- C72 H32 F104 N8 S12 -","4","0.5","HB4113","Partl, Gabriel; Laus, Gerhard; Wurst, Klaus; Kopacka, Holger; Müller, Thomas; Huppertz, Hubert; Schottenberger, Herwig","2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole","IUCrData","2017","2","2","x170110","","10.1107/S2414314617001109","","","0.71073","MoKα","","0.0412","0.0366","","","0.0959","0.099","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:49",""
"1545493","7.205","0.0002","19.8831","0.0006","9.7676","0.0003","90","","105.691","0.001","90","","1347.14","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate","","- C9 H14 N6 O6 -","- C9 H14 N6 O6 -","- C36 H56 N24 O24 -","4","1","TK4030","Lahmidi, Sanae; Essassi, El Mokhtar; Benchidmi, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate","IUCrData","2017","2","2","x170159","","10.1107/S2414314617001596","","","0.71073","MoKα","","0.0553","0.043","","","0.1205","0.1334","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545494","5.454","0.0003","8.8013","0.0005","30.2297","0.0018","90","","92.835","0.001","90","","1449.32","0.14","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Glutaminium 4-methylbenzenesulfonate","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","2","BT4036","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","<small>L</small>-Glutaminium 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170162","","10.1107/S2414314617001626","","","0.71073","MoKα","","0.0433","0.0357","","","0.0869","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545495","7.3148","0.0006","8.403","0.0006","27.67","0.002","90","","90","","90","","1700.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","1","HB4112","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","2","x170097","","10.1107/S2414314617000979","","","1.54178","CuKα","","0.0298","0.0292","","","0.0755","0.0761","","","","","","1.042","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:49",""
"1545496","10.1567","0.0005","8.5396","0.0004","21.8019","0.001","90","","99.329","0.002","90","","1865.96","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","FF4012","Ravi, A. J.; Vinduvahini, M.; Vinayaka, A. C.; Sadashiva, M. P.; Devarajegowda, H. C.","(<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione","IUCrData","2017","2","2","x170043","","10.1107/S2414314617000438","","","1.54178","CuKα","","0.0529","0.0502","","","0.147","0.1506","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545497","7.5446","0.0001","7.5446","0.0001","27.6498","0.0005","90","","90","","90","","1573.85","0.04","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","","- C6 H11 N O6 -","- C6 H11 N O6 -","- C48 H88 N8 O48 -","8","1","BT4039","Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","IUCrData","2017","2","2","x170249","","10.1107/S2414314617002498","","","0.71073","MoKα","","0.0584","0.0405","","","0.1077","0.1171","","","","","","1.115","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545498","18.0993","0.0012","14.2646","0.0009","9.599","0.0006","90","","105.345","0.001","90","","2389.9","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterion form","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C120 H128 N8 O8 -","4","0.5","","Bendia, Sabrina; Ouari, Kamel; Karmazin, Lydia","1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterionic form","IUCrData","2017","2","2","x170169","","10.1107/S2414314617001699","","","0.71073","MoKα","","0.0749","0.0525","","","0.1311","0.1464","","","","","","1.126","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545499","8.338","0.0017","10.435","0.002","10.885","0.002","102.95","0.03","97.94","0.03","97.51","0.03","901.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate","","- C18 H22 N4 O3 -","- C18 H22 N4 O3 -","- C36 H44 N8 O6 -","2","1","XU4015","Wen, Gao-Ju; Wang, Ming-Xin; Gu, Lian-Shuai","Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate","IUCrData","2017","2","2","x161941","","10.1107/S2414314616019416","","","0.71073","MoKα","","0.1126","0.0627","","","0.1603","0.192","","","","","","1.014","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545500","4.9309","0.0002","17.1173","0.0008","16.6517","0.0007","90","","91.189","0.003","90","","1405.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione","","- C13 H11 Cl N4 O S -","- C13 H11 Cl N4 O S -","- C52 H44 Cl4 N16 O4 S4 -","4","1","SU4127","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M.","5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione","IUCrData","2017","2","2","x170176","","10.1107/S2414314617001766","","","1.54178","CuKα","","0.1009","0.0681","","","0.1742","0.195","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545501","13.373","0.003","13.996","0.003","17.219","0.004","90","","90","","90","","3222.9","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyl­tricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C128 H192 Cl16 O8 -","8","2","RZ4010","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Ait Elhad, Mustapha; Oukhrib, Abdelouahd; Berraho, Moha","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","IUCrData","2017","2","2","x170198","","10.1107/S2414314617001985","","","0.71073","MoKα","","0.0361","0.0321","","","0.0808","0.0842","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545502","8.1732","0.0005","10.5828","0.0007","12.1781","0.0008","113.699","0.001","94.617","0.001","99.203","0.001","939.81","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline","","- C21 H16 Br F N2 O2 S -","- C21 H16 Br F N2 O2 S -","- C42 H32 Br2 F2 N4 O4 S2 -","2","1","SU4110","Yadav, C. Suresh; Viswanathan, Vijayan; Kannadasan, Sathananthan; Velmurugan, Devadasan","<i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline","IUCrData","2017","2","2","x170147","","10.1107/S241431461700147X","","","0.71073","MoKα","","0.0382","0.0316","","","0.0922","0.0958","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545503","5.93718","0.00011","16.9484","0.0003","10.8841","0.0002","90","","103.797","0.0019","90","","1063.62","0.03","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","{(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","","- C21 H21 F2 N3 O4 S -","- C21 H21 F2 N3 O4 S -","- C42 H42 F4 N6 O8 S2 -","2","1","SJ4084","Ma, Qing-Shuang; Wang, Xiao-Guang; Xu, Lei; Bin, Sun; Xia, Dao-Hong; Zheng, Geng-Xiu","{(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170242","","10.1107/S2414314617002425","","","1.54184","CuKα","","0.0375","0.0334","","","0.0824","0.0853","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545504","10.7224","0.0001","11.1042","0.0002","14.7761","0.0002","90","","96.078","0.001","90","","1749.41","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]","","- C38 H42 N2 O8 Rh2 -","- C38 H42 N2 O8 Rh2 -","- C76 H84 N4 O16 Rh4 -","2","0.5","","Selent, Detlef; Drexler, Hans-Joachim","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]","IUCrData","2017","2","2","x170205","","10.1107/S241431461700205X","","","0.71073","MoKα","","0.0236","0.021","","","0.0528","0.0545","","","","","","1.053","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545505","12.632","0.0006","9.3954","0.0004","12.3733","0.0006","90","","102.708","0.001","90","","1432.52","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C17 H12 N4 O2 -","- C17 H12 N4 O2 -","- C68 H48 N16 O8 -","4","1","HB4111","Ghomsi Nathan, Joseph Tene; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","2","x170073","","10.1107/S2414314617000736","","","0.71073","MoKα","","0.071","0.0519","","","0.1392","0.1529","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545506","11.6326","0.0005","6.1866","0.0002","20.1712","0.0008","90","","98.023","0.002","90","","1437.44","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","HB4118","Chetioui, Souheyla; Boutebdja, Mehdi; Boudraa, Mhamed; Touzani, Rachid; Merazig, Hocine","(<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","IUCrData","2017","2","2","x170259","","10.1107/S2414314617002590","","","0.71073","MoKα","","0.0735","0.0442","","","0.1061","0.1206","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545507","10.6311","0.0005","11.0403","0.0005","12.034","0.0006","97.594","0.002","92.173","0.002","99.423","0.001","1378.59","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate","","- C13 H11 I N O3.5 S -","- C13 H11 I N O3.5 S -","- C52 H44 I4 N4 O14 S4 -","4","2","HB4117","Suchetan, P. A.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Naveen, S.; Warad, Ismail","4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate","IUCrData","2017","2","2","x170149","","10.1107/S2414314617001493","","","1.54178","CuKα","","0.0421","0.0409","","","0.1123","0.114","","","","","","1.069","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545508","10.2436","0.0008","4.7669","0.0004","14.1543","0.0011","90","","96.6007","0.0016","90","","686.58","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole","","- C7 H6 N2 Se -","- C7 H6 N2 Se -","- C28 H24 N8 Se4 -","4","1","RZ4011","Ouahine, Halima; Ait Ali, Mustapha; El Firdoussi, Larbi; Spannenberg, Anke","5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole","IUCrData","2017","2","2","x170226","","10.1107/S2414314617002267","","","0.71073","MoKα","","0.0258","0.0235","","","0.0644","0.0664","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545523","15.4313","0.0007","5.6117","0.0002","22.8702","0.0012","90","","108.713","0.002","90","","1875.77","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-[({[bis(2-Cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl)amino]propanenitrile","","- C14 H16 N6 S4 -","- C14 H16 N6 S4 -","- C56 H64 N24 S16 -","4","0.5","LH4017","Sonia, A. S.; Baskaran, R.; Selvanayagam, S.","Crystal structure of 3-[({[bis(2-cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl) amino]propanenitrile","IUCrData","2017","2","3","x170346","","10.1107/S2414314617003467","","","0.71073","MoKα","","0.0569","0.0369","","","0.0935","0.1089","","","","","","1.105","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545554","5.874","0.0019","21.077","0.007","5.974","0.002","90","","110.372","0.013","90","","693.4","0.4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","VAZO-88","(<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)","","- C14 H20 N4 -","- C14 H20 N4 -","- C28 H40 N8 -","2","0.5","","Begum, Farzana; Twamley, Brendan; Baker, Robert J.","(<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)","IUCrData","2017","2","3","x170369","","10.1107/S2414314617003698","","","1.54184","CuKα","","0.061","0.0585","","","0.1571","0.1595","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545555","8.1107","0.0004","8.2615","0.0004","11.2048","0.0005","86.791","0.002","70.625","0.002","85.783","0.002","705.96","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide","","- C12 H7 Cl4 N O2 S -","- C12 H7 Cl4 N O2 S -","- C24 H14 Cl8 N2 O4 S2 -","2","1","SJ4094","Shakuntala, K.; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide","IUCrData","2017","2","3","x170372","","10.1107/S2414314617003728","","","1.54178","CuKα","","0.0655","0.0633","","","0.1818","0.1902","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545556","10.857","0.0005","9.0549","0.0004","14.955","0.0007","90","","91.006","0.004","90","","1469.99","0.12","173","2","173","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; Taourirte, Moha; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone","IUCrData","2017","2","3","x170368","","10.1107/S2414314617003686","","","0.71073","MoKα","","0.045","0.0374","","","0.0981","0.1033","","","","","","1.045","","","","has coordinates,has Fobs","194188","2020-10-21","18:00:00",""
"1545557","6.1673","0.0003","13.0059","0.0007","17.6433","0.0009","90","","90","","90","","1415.19","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","IUCrData","2017","2","3","x170375","","10.1107/S2414314617003753","","","1.54178","CuKα","","0.0526","0.0515","","","0.1367","0.1379","","","","","","0.992","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545558","7.9086","0.0016","6.7115","0.001","22.64","0.003","90","","96.744","0.016","90","","1193.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one","","- C11 H5 Br2 Cl O3 -","- C11 H5 Br2 Cl O3 -","- C44 H20 Br8 Cl4 O12 -","4","1","HB4128","Yarbagi, K. M.; Chennuru, R.; Paul, D.; Venkateswara Rao, B.; Mahapatra, S.","6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one","IUCrData","2017","2","3","x170356","","10.1107/S241431461700356X","","","0.71073","MoKα","","0.0958","0.0352","","","0.0674","0.0744","","","","","","0.821","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545559","7.1044","0.001","10.5317","0.0015","12.2598","0.0017","108.078","0.004","93.481","0.005","101.484","0.004","847.1","0.2","200","2","200","","","","","","","","","5","P -1","-P 1","2","","5,6-Dibromo-1<i>H</i>-indole-2,3-dione","","- C8 H3 Br2 N O2 -","- C8 H3 Br2 N O2 -","- C32 H12 Br8 N4 O8 -","4","2","","Golen, James A.; Manke, David R.","5,6-Dibromo-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170355","","10.1107/S2414314617003558","","","0.71073","MoKα","","0.0266","0.0197","","","0.0443","0.047","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545560","4.7931","0.0007","10.4177","0.0015","33.685","0.005","90","","90","","90","","1682","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","","- C17 H16 Cl N5 O3 -","- C17 H16 Cl N5 O3 -","- C68 H64 Cl4 N20 O12 -","4","1","","Sun, Yanwen; Wu, Haolei; Wei, Changheng; Gao, Mei; Shen, Zeyi; Li, Hongsen","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","IUCrData","2017","2","3","x170370","","10.1107/S2414314617003704","","","0.71073","MoKα","","0.0455","0.0409","","","0.0934","0.0962","","","","","","1.073","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545565","4.07206","0.00011","11.9589","0.0003","27.5626","0.0007","90","","90.306","0.002","90","","1342.21","0.06","291","2","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","HB4121","Li, Weijie; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru; Mao, Pu","3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one","IUCrData","2017","2","3","x170373","","10.1107/S241431461700373X","","","1.54184","CuKα","","0.0515","0.0436","","","0.1126","0.1221","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545566","6.646","0.0007","7.0733","0.0008","17.4356","0.0019","90","","90","","90","","819.63","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Potassium tetracyanidoaurate(III) monohydrate","","- C4 H2 Au K N4 O -","- C4 H2 Au K N4 O -","- C16 H8 Au4 K4 N16 O4 -","4","1","WM4042","Matsushita, Nobuyuki; Noguchi, Wataru; Tanaka, Rikako","Potassium tetracyanidoaurate(III) monohydrate: a redetermination","IUCrData","2017","2","3","x170382","","10.1107/S2414314617003820","","","0.71075","MoKα","","0.018","0.0151","","","0.0317","0.0335","","","","","","1.027","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:38",""
"1545567","7.8114","0.001","3.8832","0.0004","24.362","0.003","90","","99.055","0.005","90","","729.77","0.15","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methyl-1<i>H</i>-indole-2,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","SJ4097","Lyncee, Myrria-Tahisha A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","7-Methyl-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170378","","10.1107/S2414314617003789","","","0.71073","MoKα","","0.0452","0.0362","","","0.0841","0.0892","","","","","","1.085","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545585","7.5629","0.0019","8.205","0.002","20.587","0.005","90","","91.147","0.005","90","","1277.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","PK4014","Jiang, Yidong; Wang, Yifeng","Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate","IUCrData","2017","2","3","x170395","","10.1107/S2414314617003959","","","0.71073","MoKα","","0.0534","0.0434","","","0.1089","0.1158","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545586","22.8029","0.0015","9.9908","0.0007","9.3304","0.0006","90","","90.247","0.002","90","","2125.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol","","- C23 H32 N2 O -","- C23 H32 N2 O -","- C92 H128 N8 O4 -","4","1","VM4021","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol","IUCrData","2017","2","3","x170396","","10.1107/S2414314617003960","","","0.71073","MoKα","","0.1077","0.0696","","","0.1808","0.2145","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545587","9.8504","0.0004","8.5234","0.0004","10.312","0.0004","90","","109.673","0.001","90","","815.25","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2,2,4,4-Tetramethyl-3-(pyridin-2-yl)-1,3,2,4-diazadisiletidin-1-yl]pyridine","","- C14 H20 N4 Si2 -","- C14 H20 N4 Si2 -","- C28 H40 N8 Si4 -","2","0.5","SJ4098","Li, Rui; Duan, Xin-E; Cao, Wei; Wei, Xue-Hong","A pyridyl-substituted cyclodisilazane [(Apy)~2~(μ-SiMe)~2~] (ApyH~2~ = 2-aminopyridine)","IUCrData","2017","2","3","x170400","","10.1107/S241431461700400X","","","0.71073","MoKα","","0.035","0.0321","","","0.0867","0.0893","","","","","","0.99","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545620","7.1675","0.0004","8.8143","0.0006","10.6613","0.0007","91.968","0.004","96.362","0.003","94.745","0.003","666.46","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-3-methylpyridinium 2-carboxybenzoate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","BT4045","Sivakumar, P.; Anzline, C.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium hydrogen phthalate","IUCrData","2017","2","3","x170422","","10.1107/S2414314617004229","","","0.71073","MoKα","","0.1254","0.0594","","","0.142","0.1891","","","","","","1.021","","","","has coordinates,has Fobs","194414","2020-10-21","18:00:00",""
"1545621","7.3834","0.0002","11.7331","0.0003","16.9144","0.0004","90","","101.731","0.001","90","","1434.69","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C64 H48 N8 O12 S4 -","4","1","SU4133","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170315","","10.1107/S2414314617003157","","","1.54178","CuKα","","0.0634","0.0567","","","0.1596","0.1662","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545622","6.5995","0.0003","13.4865","0.0004","18.2435","0.0007","90","","90","","90","","1623.75","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C17 H24 Cl2 -","- C17 H24 Cl2 -","- C68 H96 Cl8 -","4","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2017","2","3","x170421","","10.1107/S2414314617004217","","","0.71073","MoKα","","0.074","0.0435","","","0.0891","0.1017","","","","","","1.019","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545623","9.4083","0.0003","9.514","0.0003","12.7168","0.0004","86.863","0.001","79.175","0.001","71.222","0.001","1058.5","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","","- C22 H23 Cl N2 O2 S -","- C22 H23 Cl N2 O2 S -","- C44 H46 Cl2 N4 O4 S2 -","2","1","SJ4096","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","IUCrData","2017","2","3","x170390","","10.1107/S241431461700390X","","","1.54178","CuKα","","0.0384","0.0354","","","0.0928","0.0957","","","","","","1.033","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545647","12.6867","0.0006","21.7492","0.001","8.1393","0.0004","90","","90.772","0.001","90","","2245.64","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","2","HB4127","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate","IUCrData","2017","2","3","x170432","","10.1107/S2414314617004321","","","0.71073","MoKα","","0.0581","0.0505","","","0.1376","0.1419","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545648","17.57","0.003","6.3994","0.001","8.869","0.0015","90","","95.641","0.008","90","","992.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","","El Ouassif, Latifa; El Ghoul, Mostafa; Achour, Redouane; Saadi, Mohamed; El Ammari, Lahcen","3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol","IUCrData","2017","2","3","x170429","","10.1107/S2414314617004291","","","0.71073","MoKα","","0.0519","0.0437","","","0.1189","0.1262","","","","","","1.083","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545649","7.8931","0.0008","9.9295","0.001","10.2411","0.0011","101.751","0.001","105.968","0.002","109.482","0.001","687.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one","","- C15 H10 Br2 N2 O -","- C15 H10 Br2 N2 O -","- C30 H20 Br4 N4 O2 -","2","1","BH4023","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; Mohamed Abdelahi, Mohamed Mokhtar; Essassi, El Mokhtar; Mague, Joel T.","(3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one","IUCrData","2017","2","3","x170389","","10.1107/S2414314617003893","","","0.71073","MoKα","","0.0326","0.0282","","","0.0716","0.0731","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:50",""
"1545650","7.412","0.002","10.963","0.004","11.07","0.004","105.124","0.018","95.633","0.018","104.398","0.017","828.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","PM_I_2C","<i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C40 H32 Cl2 N2 O4 -","2","1","HB4122","Preveena, Narasimhamurthy; Hosamani, Amar A.; Praveen, Managutti; Nagendrappa, Gopalpur; Guru Row, Tayur N.","<i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone","IUCrData","2017","2","3","x170434","","10.1107/S2414314617004345","","","0.71073","MoKα","","0.0511","0.0422","","","0.1191","0.1244","","","","","","1.126","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545651","7.704","0.0018","9.325","0.002","25.54","0.006","90","","90","","90","","1834.8","0.7","296","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","","- C17 H18 Br N O5 -","- C17 H18 Br N O5 -","- C68 H72 Br4 N4 O20 -","4","1","XU4024","Meng, Chen-Hong; Xia, Ai-Bao","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","IUCrData","2017","2","3","x170412","","10.1107/S2414314617004126","","","0.71073","MoKα","","0.1034","0.0417","","","0.0805","0.0982","","","","","","0.997","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:50",""
"1545652","7.4526","0.0017","7.9888","0.0019","10.692","0.002","85.916","0.01","80.181","0.01","65.237","0.01","569.6","0.2","200","2","200","","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]","","- C8 H8 N Na O7 S -","- C8 H8 N Na O7 S -","- C16 H16 N2 Na2 O14 S2 -","2","1","WM4043","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]","IUCrData","2017","2","3","x170440","","10.1107/S2414314617004400","","","0.71073","MoKα","","0.0465","0.0339","","","0.0774","0.0825","","","","","","1.061","","","","has coordinates,has Fobs","194516","2020-10-21","18:00:00",""
"1545756","15.561","0.004","5.9415","0.0016","12.471","0.003","90","","92.799","0.003","90","","1151.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","SU4145","Wang, Liyun; Xu, Ying; Guo, Zhiqiang; Wei, Xuehong","2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","IUCrData","2017","2","4","x170532","","10.1107/S2414314617005326","","","0.71073","MoKα","","0.0331","0.0267","","","0.0694","0.0726","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546550","9.0845","0.001","5.3436","0.0005","15.3509","0.0015","90","","95.567","0.004","90","","741.68","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-bromobutoxy)benzene","","- C14 H20 Br2 O2 -","- C14 H20 Br2 O2 -","- C28 H40 Br4 O4 -","2","0.5","HB4156","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","1,4-Bis(4-bromobutoxy)benzene","IUCrData","2017","2","7","x171004","","10.1107/S2414314617010045","","","0.71073","MoKα","","0.0324","0.0237","","","0.0489","0.0517","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546551","7.4927","0.0006","15.2501","0.0019","8.5522","0.0009","90","","94.923","0.009","90","","973.61","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","","- C8 H9 N O2 S2 -","- C8 H9 N O2 S2 -","- C32 H36 N4 O8 S8 -","4","1","SU5381","Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine","Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","IUCrData","2017","2","7","x171018","","10.1107/S2414314617010185","","","0.7107","MoKα","","0.114","0.0583","","","0.1271","0.1545","","","","","","0.996","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546552","9.1211","0.0006","14.6521","0.0009","14.2448","0.0009","90","","104.037","0.001","90","","1846.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C80 H76 N12 O12 S4 -","4","1","ZQ4023","Ramli, Youssef; Guerrab, Walid; Moussaif, Ahmed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.","3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one","IUCrData","2017","2","7","x171041","","10.1107/S2414314617010410","","","0.71073","MoKα","","0.0572","0.0456","","","0.1267","0.1355","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546553","8.8083","0.0011","6.6316","0.0009","15.068","0.002","90","","99.539","0.004","90","","868","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Creatininium phosphite","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium phosphite","","- C4 H10 N3 O4 P -","- C4 H10 N3 O4 P -","- C16 H40 N12 O16 P4 -","4","1","BT4053","Sindhusha, S.; Padma, C. M.; Gunasekaran, B.","Creatininium phosphite","IUCrData","2017","2","7","x171043","","10.1107/S2414314617010434","","","0.71073","MoKα","","0.105","0.0561","","","0.1311","0.1517","","","","","","1.097","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546554","3.7716","0.0006","10.3959","0.0015","12.328","0.0018","78.017","0.002","83.431","0.002","81.266","0.002","465.63","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C22 H20 N4 O4 -","2","1","WM4051","Lahmidi, Sanae; Abad, Nadeem; Boulhaoua, Mohammed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","IUCrData","2017","2","7","x170991","","10.1107/S2414314617009919","","","0.71073","MoKα","","0.0592","0.0488","","","0.1295","0.136","","","","","","0.997","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546555","7.4093","0.0004","7.9779","0.0003","8.625","0.0003","67.3","0.004","85.9","0.004","74.068","0.004","451.93","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(Ethoxycarbonothioylthio)propanoic acid","","- C6 H10 O3 S2 -","- C6 H10 O3 S2 -","- C12 H20 O6 S4 -","2","1","HG4023","Eyer, Lukas N.; McAdam, C. John; Simpson, Jim","2-(Ethoxycarbonothioylthio)propanoic acid","IUCrData","2017","2","7","x171035","","10.1107/S2414314617010355","","","1.54184","CuKα","","0.0485","0.0467","","","0.1253","0.128","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546587","14.6454","0.0008","12.0415","0.0005","15.1149","0.0009","90","","115.621","0.007","90","","2403.5","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C96 H104 Cl8 N16 O16 -","8","1","HB4159","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","7","x171052","","10.1107/S2414314617010525","","","1.54184","CuKα","","0.052","0.0447","","","0.1191","0.1283","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546588","4.5801","0.0009","10.87","0.002","10.971","0.002","101.043","0.003","98.854","0.003","99.868","0.003","518.21","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","SJ4127","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2017","2","7","x171057","","10.1107/S2414314617010574","","","0.71073","MoKα","","0.1079","0.0902","","","0.2708","0.2811","","","","","","1.028","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546589","16.376","0.002","9.9864","0.0014","36.605","0.005","90","","99.419","0.004","90","","5905.6","1.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate","","- C72 H76 B2 N4 Ni S2 -","- C72 H76 B2 N4 Ni S2 -","- C288 H304 B8 N16 Ni4 S8 -","4","0.5","BV4008","Meloccaro, Alexandra; Zimmerman, Joshua R.; Eichhorn, David M.","Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate","IUCrData","2017","2","7","x171067","","10.1107/S2414314617010677","","","0.71073","MoKα","","0.0932","0.0542","","","0.0983","0.1091","","","","","","1.046","","","","has coordinates,has Fobs","198923","2020-10-21","18:00:00",""
"1546627","7.167","0.002","8.726","0.003","13.947","0.004","90","","96.375","0.004","90","","866.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)","","- C16 H18 N4 O2 Se2 -","- C16 H18 N4 O2 Se2 -","- C32 H36 N8 O4 Se4 -","2","0.5","HB4154","Guo, Zhiqiang; Wang, Yakong; Xu, Ying; Wei, Xuehong","2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)","IUCrData","2017","2","6","x170882","","10.1107/S2414314617008823","","","0.71073","MoKα","","0.0358","0.0301","","","0.0742","0.0769","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546628","8.3161","0.0002","9.9302","0.0005","33.0414","0.0011","90","","90","","90","","2728.58","0.18","295","2","295","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","","- C29 H45 N O5 -","- C29 H45 N O5 -","- C116 H180 N4 O20 -","4","1","FF4016","Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Hernández Linares, María-Guadalupe; Bernès, Sylvain","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","IUCrData","2017","2","4","x170491","","10.1107/S2414314617004916","","","0.56083","AgKα","","0.0767","0.0439","","","0.0949","0.1065","","","","","","0.924","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546629","7.6932","0.0008","10.1152","0.0008","20.9336","0.0017","90","","90","","90","","1629","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cystosinium tartarate monohydrate","","- C12 H18 N6 O9 -","- C12 H18 N6 O9 -","- C48 H72 N24 O36 -","4","1","BX4005","Jaikumar, P.; Sundar, T. V.; Sharmila, N.; Balakrishnan, T.; Ramamurthi, K.","Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate","IUCrData","2017","2","3","x170448","","10.1107/S2414314617004485","","","0.71073","MoKα","","0.0452","0.036","","","0.0819","0.0867","","","","","","1.11","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546630","3.8919","0.0001","20.4831","0.0006","11.258","0.0004","90","","92.757","0.001","90","","896.43","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C36 H28 N12 O12 -","4","1","LH4020","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; El Karkour, Meryeme; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone","IUCrData","2017","2","6","x170831","","10.1107/S2414314617008318","","","1.54178","CuKα","","0.0628","0.0496","","","0.1304","0.1403","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546631","9.9251","0.0004","12.2293","0.0004","15.1738","0.0005","84.318","0.002","78.538","0.002","89.88","0.002","1795.86","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","2","SU4146","Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma","3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one","IUCrData","2017","2","4","x170534","","10.1107/S241431461700534X","","","0.71073","MoKα","","0.0663","0.0452","","","0.1122","0.1252","","","","","","1.014","","","","has coordinates,has Fobs","199225","2020-10-21","18:00:00",""
"1546632","8.3013","0.0005","13.1934","0.0008","15.3583","0.0009","103.241","0.003","105.47","0.003","93.046","0.003","1566.3","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate","","- C15 H16 N3 O3.5 S -","- C15 H16 N3 O3.5 S -","- C60 H64 N12 O14 S4 -","4","2","TK4031","Bouissane, Latifa; Mojahidi, Souad; Rakib, El Mostapha; Chicha, Hakima; Saadi, Mohamed; El Ammari, Lahcen","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate","IUCrData","2017","2","5","x170645","","10.1107/S2414314617006459","","","0.71073","MoKα","","0.0655","0.0428","","","0.1099","0.1258","","","","","","1.009","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546633","8.2805","0.0003","8.6053","0.0003","12.2396","0.0004","103.519","0.003","99.935","0.003","105.188","0.003","792.56","0.05","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate","","- C15 H10 F6 O3 S -","- C15 H10 F6 O3 S -","- C30 H20 F12 O6 S2 -","2","1","BT4055","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170981","","10.1107/S2414314617009816","","","0.71073","MoKα","","0.0361","0.0298","","","0.0781","0.0802","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546634","17.5297","0.0008","12.1853","0.0006","12.0781","0.0004","90","","90","","90","","2579.94","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C132 H108 N4 O8 -","4","1","HB4132","Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T.","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","IUCrData","2017","2","4","x170581","","10.1107/S2414314617005818","","","0.71073","MoKα","","0.0437","0.034","","","0.0782","0.0843","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546635","4.3949","0.0004","9.9144","0.0008","13.1376","0.0011","98.481","0.001","90.755","0.001","97.377","0.001","561.19","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C20 H20 Cl2 N6 O6 -","2","1","SJ4104","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol","IUCrData","2017","2","5","x170637","","10.1107/S241431461700637X","","","0.71073","MoKα","","0.0652","0.0467","","","0.144","0.1512","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546636","9.0503","0.0007","5.9762","0.0005","16.3508","0.0012","90","","102.732","0.001","90","","862.61","0.12","103","","103","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","ZQ4021","Moriwaki, Ryoji; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","IUCrData","2017","2","7","x170979","","10.1107/S2414314617009798","","","0.71073","MoKα","","0.0321","0.0307","","","0.0726","0.0735","","","","","","1.035","","","","has coordinates,has Fobs","199230","2020-10-21","18:00:00",""
"1546637","8.7453","0.0013","8.6888","0.001","9.2511","0.0011","90","","95.936","0.008","90","","699.19","0.16","92","2","92","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","LH4018","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","IUCrData","2017","2","4","x170500","","10.1107/S2414314617005004","","","0.71073","MoKα","","0.0503","0.0449","","","0.0948","0.0981","","","","","","1.088","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546638","9.7437","0.0003","12.2437","0.0003","26.8215","0.001","90","","90","","90","","3199.78","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a]</i>phenanthrene-3,7,12-triyl triacetate","","- C33 H48 O8 -","- C33 H48 O8 -","- C132 H192 O32 -","4","1","","Kavitha, T.; Anandkumar, Devaraj; Rajakumar, Perumal; Bargavi, Srinivasan; Lakshmi, Srinivasakannan","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-3,7,12-triyl triacetate","IUCrData","2017","2","3","x170436","","10.1107/S2414314617004369","","","0.71073","MoKα","","0.048","0.0349","","","0.0806","0.089","","","","","","0.975","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546639","7.1335","0.0005","10.6863","0.0005","11.883","0.0006","99.856","0.004","93.53","0.005","101.937","0.005","868.75","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione)","","- C16 H22 N4 S2 -","- C16 H22 N4 S2 -","- C32 H44 N8 S4 -","2","1","SU4149","Partl, Gabriel; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione)","IUCrData","2017","2","4","x170599","","10.1107/S2414314617005995","","","0.71073","MoKα","","0.0328","0.0287","","","0.0694","0.0718","","","","","","1.054","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546640","6.8116","0.0002","7.2402","0.0002","13.4826","0.0003","96.943","0.002","90.862","0.002","106.139","0.002","633.21","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate","","- C16 H9 F O4 -","- C16 H9 F O4 -","- C32 H18 F2 O8 -","2","1","HB7657","Ziki, Eric; Sosso, Siaka; Cissé, Lamine; Bany, Guy Euloge; Djandé, Abdoulaye; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate","IUCrData","2017","2","4","x170550","","10.1107/S2414314617005508","","","1.54184","CuKα","","0.0394","0.0355","","","0.0963","0.0998","","","","","","1.092","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546641","7.307","0.0011","8.7763","0.0013","11.2927","0.0013","91.059","0.011","107.867","0.012","109.814","0.014","642.36","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C32 H22 N2 O6 -","2","1","VM4026","Filali Baba, Yassir; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","7","x171072","","10.1107/S2414314617010720","","","1.54184","CuKα","","0.0738","0.0487","","","0.1181","0.1417","","","","","","1.019","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546642","6.2315","0.0003","15.5466","0.0008","18.9162","0.001","90","","98.845","0.001","90","","1810.78","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C20 H17 Cl N2 O3 S -","- C20 H17 Cl N2 O3 S -","- C80 H68 Cl4 N8 O12 S4 -","4","1","WM4044","Ellouz, Mohamed; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","5","x170646","","10.1107/S2414314617006460","","","0.71073","MoKα","","0.0504","0.0408","","","0.1175","0.1229","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546643","13.9601","0.0002","11.1172","0.0002","16.7313","0.0003","90","","96.019","0.001","90","","2582.34","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","1","RZ4014","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione","IUCrData","2017","2","5","x170639","","10.1107/S2414314617006393","","","0.71073","MoKα","","0.0831","0.0445","","","0.1093","0.1296","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546644","27.4679","0.0006","9.5818","0.0002","20.2584","0.0005","90","","117.398","0.001","90","","4733.78","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","","- C23 H23 Cl N2 O4 S -","- C23 H23 Cl N2 O4 S -","- C184 H184 Cl8 N16 O32 S8 -","8","1","SU4155","Mague, Joel T.; Al-Taifi, Elham A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.","Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","IUCrData","2017","2","6","x170868","","10.1107/S2414314617008689","","","1.54178","CuKα","","0.0604","0.0575","","","0.1625","0.1656","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","199238","2020-10-21","18:00:00",""
"1546645","13.6968","0.0012","12.1053","0.001","9.6353","0.0007","90","","105.17","0.003","90","","1541.9","0.2","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","HB4140","Sivakumar, P.; Ezhamani, G.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","IUCrData","2017","2","5","x170649","","10.1107/S2414314617006496","","","0.71073","MoKα","","0.0933","0.0461","","","0.1117","0.1329","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546646","22.569","0.006","5.1097","0.0013","13.497","0.003","90","","90","","90","","1556.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","","- C15 H20 Br N3 O2 -","- C15 H20 Br N3 O2 -","- C60 H80 Br4 N12 O8 -","4","1","ZQ4022","Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","IUCrData","2017","2","7","x170984","","10.1107/S2414314617009841","","","0.71073","MoKα","","0.0917","0.068","","","0.1472","0.156","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546647","5.3483","0.0001","14.1861","0.0004","19.1408","0.0005","90","","97.451","0.001","90","","1439.98","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole","","- C17 H15 N5 -","- C17 H15 N5 -","- C68 H60 N20 -","4","1","VM4024","Sahbi, Azzeddine; Fichtali, Ismail; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Kandri Rodi, Youssef","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole","IUCrData","2017","2","6","x170944","","10.1107/S2414314617009440","","","1.54178","CuKα","","0.0477","0.0398","","","0.0919","0.0974","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546648","11.6978","0.0006","7.1331","0.0004","21.1822","0.0012","90","","95.311","0.004","90","","1759.89","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","HB4137","Viswanathan, Vijayan; Yasmin, Sabina; Jayaprakash, Venkatesan; Velmurugan, Devadasan","<i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide","IUCrData","2017","2","5","x170716","","10.1107/S2414314617007167","","","0.71073","MoKα","","0.1993","0.0541","","","0.1379","0.2116","","","","","","0.844","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546649","9.784","0.001","10.291","0.001","21.58","0.02","90","","99.528","0.011","90","","2143","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","BT4049","Archana, K.; Saravanan, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S.","3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide","IUCrData","2017","2","5","x170721","","10.1107/S2414314617007210","","","0.71073","MoKα","","0.0789","0.057","","","0.1562","0.1783","","","","","","1.06","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546650","5.8882","0.0007","16.418","0.003","18.894","0.003","90","","95.016","0.005","90","","1819.5","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","SU4147","Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma","8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one","IUCrData","2017","2","4","x170535","","10.1107/S2414314617005351","","","0.71073","MoKα","","0.1491","0.0613","","","0.1486","0.1974","","","","","","1.01","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546651","12.035","0.0005","24.5052","0.0009","4.9909","0.0002","90","","90","","90","","1471.92","0.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","SJ4112","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","IUCrData","2017","2","5","x170706","","10.1107/S2414314617007064","","","1.54178","CuKα","","0.0484","0.0446","","","0.1108","0.1139","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546652","20.4402","0.0006","20.4402","0.0006","5.7266","0.0004","90","","90","","90","","2392.58","0.19","173","2","173","2","","","","","","","","4","I -4","I -4","82","","(Benzylthiolato-κ<i>S</i>)phenylmercury(II)","","- C13 H12 Hg S -","- C13 H12 Hg S -","- C104 H96 Hg8 S8 -","8","1","SJ4103","Nath, Paras; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P.","(Benzylthiolato-κS)phenylmercury(II)","IUCrData","2017","2","4","x170503","","10.1107/S241431461700503X","","","0.71073","MoKα","","0.0428","0.0351","","","0.07","0.0749","","","","","","1.042","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:38",""
"1546653","26.407","0.001","14.3718","0.0005","12.9624","0.0005","90","","108.312","0.002","90","","4670.3","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C24 H38 N2 O2 -","- C24 H38 N2 O2 -","- C192 H304 N16 O16 -","8","1","HG4021","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","4","x170520","","10.1107/S241431461700520X","","","1.54178","CuKα","","0.1128","0.072","","","0.1763","0.2028","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546654","33.5367","0.0015","5.5506","0.0002","14.7248","0.0007","90","","96.873","0.002","90","","2721.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate","","- C12 H9 Cl N4 O4 S -","- C12 H9 Cl N4 O4 S -","- C96 H72 Cl8 N32 O32 S8 -","8","1","SU4143","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate","IUCrData","2017","2","3","x170465","","10.1107/S2414314617004655","","","0.71073","MoKα","","0.0568","0.0382","","","0.0976","0.1113","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546655","14.054","0.0011","11.2639","0.0006","9.6184","0.0005","90","","90","","90","","1522.62","0.16","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","BH4024","González, Gerardo García; Unnamatla, M. V. Basavanag","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","IUCrData","2017","2","3","x170445","","10.1107/S241431461700445X","","","0.71073","MoKα","","0.0607","0.0559","","","0.1484","0.1539","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546656","6.9243","0.0006","7.7262","0.0008","11.8168","0.0006","84.55","0.006","81.852","0.006","83.023","0.008","619.22","0.09","298","0.2","298","0.2","","","","","","","","3","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl benzoate","","- C16 H10 O4 -","- C16 H10 O4 -","- C32 H20 O8 -","2","1","HB4144","Kambo, Konan René; Sosso, Siaka; Mansilla-Koblavi, F.; Djandé, Abdoulaye; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-3-yl benzoate","IUCrData","2017","2","5","x170663","","10.1107/S2414314617006630","","","0.71073","MoKα","","0.075","0.0509","","","0.1412","0.1589","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546657","4.9634","0.0001","14.0708","0.0003","25.7168","0.0006","90","","90.602","0.001","90","","1795.94","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate","","- C22 H18 N3 O3.5 -","- C22 H18 N3 O3.5 -","- C88 H72 N12 O14 -","4","1","VM4025","Filali Baba, Yassir; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate","IUCrData","2017","2","7","x171038","","10.1107/S2414314617010380","","","1.54178","CuKα","","0.066","0.0471","","","0.0959","0.1056","","","","","","1.036","","","","has coordinates,has Fobs","199251","2020-10-21","18:00:00",""
"1546658","13.9866","0.0006","7.9972","0.0004","23.122","0.001","90","","90","","90","","2586.3","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone","","- C12 H13 Cl2 N O2 -","- C12 H13 Cl2 N O2 -","- C96 H104 Cl16 N8 O16 -","8","1","SU4151","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G.","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis","IUCrData","2017","2","6","x170813","","10.1107/S2414314617008136","","","0.71073","MoKα","","0.0979","0.0483","","","0.1258","0.1638","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546659","13.357","0.003","9.209","0.002","16.743","0.004","90","","113.277","0.003","90","","1891.8","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","0.5","HB4157","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","7","x171019","","10.1107/S2414314617010197","","","0.71073","MoKα","","0.0929","0.0615","","","0.1704","0.196","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546660","33.8411","0.0007","4.7106","0.0001","18.0987","0.0004","90","","90.47","0.001","90","","2885.05","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C33 H47 N O S -","- C33 H47 N O S -","- C132 H188 N4 O4 S4 -","4","1","ZQ4019","Sebbar, Nada Kheira; Ellouz, Mohamed; Lahmidi, Sanae; Hlimi, Fouzia; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","5","x170695","","10.1107/S2414314617006952","","","1.54178","CuKα","","0.0544","0.0456","","","0.1134","0.1195","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546661","5.7619","0.0002","22.1304","0.0006","13.6271","0.0004","90","","99.102","0.001","90","","1715.75","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","BT4037","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Albayati, Mustafa R.","2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol","IUCrData","2017","2","1","x170132","","10.1107/S2414314617001328","","","1.54178","CuKα","","0.0485","0.0381","","","0.0848","0.0903","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546662","8.5878","0.0008","9.0603","0.0008","12.8566","0.0012","85.076","0.007","82.558","0.007","70.917","0.008","936.4","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C22 H21 N5 O -","- C22 H21 N5 O -","- C44 H42 N10 O2 -","2","1","","Adardour, Mohamed; Loughzail, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam; Berraho, Moha","1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","IUCrData","2017","2","6","x170907","","10.1107/S2414314617009075","","","0.71073","MoKα","","0.0714","0.0535","","","0.1285","0.1428","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546663","9.968","0.004","15.529","0.006","10.119","0.004","90","","102.558","0.009","90","","1528.9","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline","","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","2","SU4142","Raghuvarman, B.; Gayathri, Jayagopi; Selvan, Kumar Sangeetha; Sugumar, P.; Ponnuswamy, M. N.","(<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline","IUCrData","2017","2","4","x170540","","10.1107/S2414314617005405","","","0.71073","MoKα","","0.0905","0.0433","","","0.0759","0.0915","","","","","","0.988","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546664","12.8083","0.0008","14.637","0.001","18.9082","0.0012","106.916","0.002","98.406","0.002","110.635","0.002","3048.9","0.4","147","2","147","2","","","","","","","","8","P 1","P 1","1","","Chloridocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(diphenylphosphanyl)ethyl]-<i>N</i>'-[2-(dicyclohexylphosphanyl)ethylidenyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","","- C67 H72 B Br Fe N2 O P2 -","- C67 H72 B Br Fe N2 O P2 -","- C134 H144 B2 Br2 Fe2 N4 O2 P4 -","2","2","HB4129","Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Bromidocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(dicyclohexylphosphanyl)ethylidenyl]-<i>N</i>'-[2-(diphenylphosphanyl)ethyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","IUCrData","2017","2","3","x170452","","10.1107/S2414314617004527","","","0.71073","MoKα","","0.0544","0.0403","","","0.0834","0.0892","","","","","","1.039","","","","has coordinates,has Fobs","199258","2020-10-21","18:00:00",""
"1546665","9.4093","0.0003","10.5822","0.0004","12.2844","0.0005","90","","107.64","0.001","90","","1165.66","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","","- C8 H15 N O5 S -","- C8 H15 N O5 S -","- C32 H60 N4 O20 S4 -","4","2","HB4152","Laus, Gerhard; Wurst, Klaus; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig","(<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","IUCrData","2017","2","6","x170869","","10.1107/S2414314617008690","","","0.71073","MoKα","","0.0293","0.0271","","","0.072","0.0732","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546666","5.6382","0.0011","13.622","0.003","20.662","0.004","90","","92.289","0.006","90","","1585.6","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate","","- C14 H9 Cl4 N3 O2 -","- C14 H9 Cl4 N3 O2 -","- C56 H36 Cl16 N12 O8 -","4","1","","Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike","3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate","IUCrData","2017","2","4","x170580","","10.1107/S2414314617005806","","","0.71073","MoKα","","0.05","0.0399","","","0.1008","0.1085","","","","","","1.082","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546667","8.6864","0.0006","8.9925","0.0006","10.9872","0.0007","110.653","0.001","95.111","0.001","104.723","0.001","761.42","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","SJ4101","Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2017","2","4","x170493","","10.1107/S241431461700493X","","","0.71073","MoKα","","0.0541","0.0447","","","0.1235","0.1282","","","","","","1.086","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546668","6.9617","0.0017","7.5941","0.0019","9.464","0.002","86.06","0.02","82.118","0.019","67.102","0.018","456.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Allyl-2-methylpyridinium chloride","","- C9 H12 Cl N -","- C9 H12 Cl N -","- C18 H24 Cl2 N2 -","2","1","HB4138","Bentivoglio, Gino; Laus, Gerhard; Kahlenberg, Volker; Röder, Thomas; Schottenberger, Herwig","1-Allyl-2-methylpyridinium chloride","IUCrData","2017","2","4","x170598","","10.1107/S2414314617005983","","","0.71073","MoKα","","0.0328","0.0276","","","0.065","0.0669","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546669","10.721","0.0002","13.7039","0.0002","11.5761","0.0002","90","","107.032","0.0006","90","","1626.16","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","RZ4016","Louroubi, Abdelhadi; Outouch, Rachid; Ait Ali, Mustapha; Spannenberg, Anke; El Firdoussi, Larbi","1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone","IUCrData","2017","2","6","x170895","","10.1107/S2414314617008951","","","0.71073","MoKα","","0.0433","0.0383","","","0.099","0.1039","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546670","20.333","0.0004","14.2764","0.0003","4.5089","0.0001","90","","90","","90","","1308.85","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C13 H12 N6 O2 -","- C13 H12 N6 O2 -","- C52 H48 N24 O8 -","4","1","SJ4100","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Gaamoussi, Issam; Ouzidan, Younes","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170515","","10.1107/S2414314617005156","","","1.54178","CuKα","","0.0329","0.0292","","","0.0673","0.0697","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546671","14.8643","0.0006","7.6795","0.0004","12.069","0.0005","90","","108.465","0.004","90","","1306.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C14 H12 Br N3 O -","- C14 H12 Br N3 O -","- C56 H48 Br4 N12 O4 -","4","1","SJ4128","Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; El Hadrami, El Mestafa; Essassi, El Mokhtar","6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2017","2","7","x171071","","10.1107/S2414314617010719","","","1.54184","CuKα","","0.0509","0.039","","","0.0972","0.1072","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546672","3.8872","0.0001","6.8386","0.0003","13.6279","0.0005","90","","93.303","0.002","90","","361.67","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 5-methylpyrazine-2-carboxylate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C14 H16 N4 O4 -","2","1","SJ4126","Rillema, D. Paul; KomReddy, Venugopal; Senaratne, Nilmini K.; Eichhorn, David M.","Methyl 5-methylpyrazine-2-carboxylate","IUCrData","2017","2","7","x170997","","10.1107/S241431461700997X","","","0.71073","MoKα","","0.0303","0.029","","","0.0817","0.0827","","","","","","1.137","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546673","9.2518","0.0002","10.3432","0.0002","38.5674","0.0007","90","","90","","90","","3690.64","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H14 Cl N O2 S -","- C22 H14 Cl N O2 S -","- C176 H112 Cl8 N8 O16 S8 -","8","1","SJ4110","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2017","2","5","x170677","","10.1107/S2414314617006770","","","0.71073","MoKα","","0.0742","0.047","","","0.1117","0.1275","","","","","","1.021","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546674","29.2234","0.0004","8.3076","0.0002","31.0407","0.0005","90","","101.859","0.002","90","","7375.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C352 H272 Cl16 N32 O32 -","16","2","SJ4123","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","6","x170901","","10.1107/S2414314617009014","","","1.54184","CuKα","","0.069","0.0527","","","0.144","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546675","7.4984","0.0003","16.2805","0.0007","8.3363","0.0003","90","","97.403","0.004","90","","1009.19","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","HB4155","Mohamed Abdelahi, Mohamed Mokhtar; Sebbar, Nada Kheira; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar; Benchidmi, Mohammed","3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole","IUCrData","2017","2","7","x170972","","10.1107/S2414314617009725","","","1.54184","CuKα","","0.0513","0.0418","","","0.1062","0.1158","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546676","9.6036","0.0002","10.806","0.0003","11.4686","0.0003","108.617","0.002","100.558","0.002","109.477","0.0012","1005.91","0.05","103","2","103","2","","","","","","","","3","P -1","-P 1","2","Dodecaallylhexasilacyclohexane","1,1,2,2,3,3,4,4,5,5,6,6-Dodecaallylhexasilinane","","- C36 H60 Si6 -","- C36 H60 Si6 -","- C36 H60 Si6 -","1","0.5","WM4048","Mizuhata, Yoshiyuki; Omatsu, Yamato; Tokitoh, Norihiro","Dodecaallylhexasilacyclohexane","IUCrData","2017","2","6","x170807","","10.1107/S2414314617008070","","","0.71075","MoKα","","0.0347","0.0324","","","0.0869","0.0886","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546677","11.1688","0.0002","9.0576","0.0002","11.9237","0.0002","90","","106.77","0.001","90","","1154.93","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H25 F N4 O7 -","- C23 H25 F N4 O7 -","- C46 H50 F2 N8 O14 -","2","1","HB4145","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; El Hadrami, El Mestafa; Essassi, El Mokhtar","5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170739","","10.1107/S2414314617007398","","","1.54178","CuKα","","0.0325","0.0304","","","0.0723","0.0739","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546678","16.158","0.003","3.996","0.0006","17.551","0.003","90","","115.316","0.005","90","","1024.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Dibromo-8-methoxyquinoline","","- C10 H7 Br2 N O -","- C10 H7 Br2 N O -","- C40 H28 Br8 N4 O4 -","4","1","HB4142","Çelik, Ísmail; Ökten, Salih; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Çakmak, Osman; Özbakır, Rana","5,7-Dibromo-8-methoxyquinoline","IUCrData","2017","2","5","x170643","","10.1107/S2414314617006435","","","0.71073","MoKα","","0.0456","0.0276","","","0.0532","0.0589","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546679","8.5948","0.0015","10.1942","0.0016","10.2572","0.0017","74.93","0.007","75.306","0.007","89.866","0.007","837.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","1","SU4154","Kaoukabi, Hanane; Taourirte, Moha; El Azhari, Mohamed; Lazrek, Hassan B.; Saadi, Mohamed; El Ammari, Lahcen","5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","IUCrData","2017","2","6","x170816","","10.1107/S2414314617008161","","","0.71073","MoKα","","0.0573","0.0485","","","0.1361","0.1472","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546680","8.8898","0.0008","8.9885","0.0009","12.1973","0.001","89.908","0.008","84.49","0.007","63.534","0.009","867.53","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C19 H18 Cl N O S -","- C19 H18 Cl N O S -","- C38 H36 Cl2 N2 O2 S2 -","2","1","SJ4118","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2017","2","6","x170870","","10.1107/S2414314617008707","","","1.54184","CuKα","","0.057","0.0494","","","0.1362","0.1458","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546681","3.8145","0.0003","12.4829","0.001","17.4438","0.0015","90","","90","","90","","830.6","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,6-Dichloro-4-nitrotoluene","1,3-Dichloro-2-methyl-5-nitrobenzene","","- C7 H5 Cl2 N O2 -","- C7 H5 Cl2 N O2 -","- C28 H20 Cl8 N4 O8 -","4","1","LH4019","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Jeannin, Olivier; Meinnel, Jean","2,6-Dichloro-4-nitrotoluene","IUCrData","2017","2","5","x170672","","10.1107/S2414314617006721","","","0.7107","MoKα","","0.0327","0.0301","","","0.0645","0.0659","","","","","","1.068","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546682","7.7711","0.0006","10.9897","0.0011","11.409","0.0011","112.013","0.009","109.259","0.008","98.12","0.007","812.78","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","SJ4120","Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine","IUCrData","2017","2","6","x170890","","10.1107/S2414314617008902","","","1.54184","CuKα","","0.0587","0.0484","","","0.1308","0.1402","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546683","11.2363","0.0007","7.4063","0.0005","12.1247","0.0008","90","","111.051","0.001","90","","941.67","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","SJ4109","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole","IUCrData","2017","2","5","x170652","","10.1107/S2414314617006526","","","0.71073","MoKα","","0.0409","0.0361","","","0.1004","0.1028","","","","","","1.131","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546684","18.2838","0.0013","7.7956","0.0006","11.8081","0.0008","90","","100.393","0.003","90","","1655.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","SJ4116","Ghandour, Ismail; Mague, Joel T.; Bouayad, Abdelouahed; Chakroune, Said; Essassi, El Mokhtar; Kandri Rodi, Youssef","5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","IUCrData","2017","2","6","x170853","","10.1107/S2414314617008537","","","1.54178","CuKα","","0.0381","0.0354","","","0.0906","0.093","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546685","8.1093","0.0003","9.1624","0.0005","14.6575","0.0007","90","","94.241","0.003","90","","1086.08","0.09","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Allyl-2,3-cyclopentenopyridinium chloride","","- C11 H14 Cl N -","- C11 H14 Cl N -","- C44 H56 Cl4 N4 -","4","1","SJ4107","Partl, Gabriel; Bentivoglio, Gino; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1-Allyl-2,3-cyclopentenopyridinium chloride","IUCrData","2017","2","5","x170669","","10.1107/S2414314617006691","","","0.71073","MoKα","","0.0436","0.0343","","","0.0857","0.0919","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546686","19.6067","0.0006","5.5438","0.0002","14.0069","0.0005","90","","99.911","0.002","90","","1499.77","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","HG4022","Benyahya, Mohamed Ali; El Azzaoui, Brahim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole","IUCrData","2017","2","7","x170647","","10.1107/S2414314617006472","","","1.54178","CuKα","","0.0674","0.0465","","","0.1003","0.1112","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546687","7.133","0.0009","8.1155","0.0011","17.798","0.002","87.747","0.002","81.84","0.002","87.849","0.002","1018.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide","","- C19 H12 Cl2 N2 O4 S3 -","- C19 H12 Cl2 N2 O4 S3 -","- C38 H24 Cl4 N4 O8 S6 -","2","1","WM4046","Watkins, Sydney M.; Hagen, Timothy J.; Perkins, Timothy S.; Zheng, Chong","(<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide","IUCrData","2017","2","6","x170865","","10.1107/S2414314617008653","","","0.71073","MoKα","","0.0382","0.0361","","","0.0943","0.0959","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546688","13.1047","0.0016","4.031","0.0004","15.7631","0.0018","90","","105.72","0.004","90","","801.54","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Dibromo-6-methylpyridin-2-amine","","- C6 H6 Br2 N2 -","- C6 H6 Br2 N2 -","- C24 H24 Br8 N8 -","4","1","HB4147","Krishna Murthy, P.; Sreenivasa Rao, R.; Suneetha, V.; Giri, L.; Suchetan, P. A.","3,5-Dibromo-6-methylpyridin-2-amine","IUCrData","2017","2","5","x170728","","10.1107/S2414314617007283","","","0.71073","MoKα","","0.044","0.0381","","","0.1033","0.1083","","","","","","1.089","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546689","13.463","0.003","3.8694","0.0008","20.377","0.004","90","","101.023","0.003","90","","1041.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","SJ4111","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine","IUCrData","2017","2","5","x170684","","10.1107/S2414314617006848","","","0.71073","MoKα","","0.0523","0.0437","","","0.1199","0.1249","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546690","8.9303","0.0015","15.572","0.003","9.4824","0.0016","90","","117.32","0.008","90","","1171.6","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","","- C25 H36 N2 O -","- C25 H36 N2 O -","- C50 H72 N4 O2 -","2","1","VM4022","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","IUCrData","2017","2","4","x170572","","10.1107/S2414314617005727","","","0.71073","MoKα","","0.083","0.0619","","","0.1678","0.1893","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546691","6.1657","0.0015","7.0875","0.0019","20.883","0.006","90","","90","","90","","912.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","","- C7 N4 S3 -","- C7 N4 S3 -","- C28 N16 S12 -","4","1","WM4053","Tomura, Masaaki","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","IUCrData","2017","2","7","x171023","","10.1107/S2414314617010239","","","0.71073","MoKα","","0.0463","0.0406","","","0.0975","0.103","","","","","","1.114","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546692","14.9353","0.0005","15.0367","0.0005","19.4231","0.0007","90","","98.13","0.002","90","","4318.2","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(<i>E</i>)-(3-Methylbenzylidene)amino]-6-(morpholin-4-yl)-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine","","- C23 H26 N6 O2 -","- C23 H26 N6 O2 -","- C184 H208 N48 O16 -","8","2","ZL4016","Morris, Patrick J.; Moore, Curtis; Thomas, Craig J.","Apilimod","IUCrData","2017","2","5","x170693","","10.1107/S2414314617006939","","","1.54178","CuKα","","0.0442","0.0379","","","0.0983","0.103","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546693","10.1174","0.0005","19.0567","0.0008","14.0387","0.0007","90","","105.254","0.004","90","","2611.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C27 H32 Br N O5 -","- C27 H32 Br N O5 -","- C108 H128 Br4 N4 O20 -","4","1","HB4135","Mohamed, Shaaban K.; Dege, Necmi; Akkurt, Mehmet; Allah, Omyma A. Abd; Albayati, Mustafa R.","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","IUCrData","2017","2","4","x170573","","10.1107/S2414314617005739","","","0.71073","MoKα","","0.087","0.0454","","","0.0922","0.1052","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546694","26.3932","0.0005","26.3932","0.0005","24.827","0.0005","90","","90","","120","","14977.5","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole","","- C72 H80 N6 O9 -","- C72 H80 N6 O9 -","- C648 H720 N54 O81 -","9","0.5","","Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole with an unknown solvent","IUCrData","2017","2","3","x170462","","10.1107/S241431461700462X","","","0.71073","MoKα","","0.1707","0.0643","","","0.1765","0.2217","","","","","","0.846","","","","has coordinates,has disorder,has Fobs","199288","2020-10-21","18:00:00",""
"1546695","10.5372","0.0004","10.5372","0.0004","29.971","0.0011","90","","90","","120","","2881.92","0.19","296","2","296","2","","","","","","","","5","P 61","P 61","169","","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","","- C18 H27 Cl2 N O -","- C18 H27 Cl2 N O -","- C108 H162 Cl12 N6 O6 -","6","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","IUCrData","2017","2","4","x170492","","10.1107/S2414314617004928","","","0.71073","MoKα","","0.0464","0.0392","","","0.1016","0.1086","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546696","9.4118","0.0003","10.8934","0.0004","18.6996","0.0007","101.629","0.001","91.752","0.001","90.351","0.001","1876.83","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C20 H22 N4 O3 -","- C20 H22 N4 O3 -","- C80 H88 N16 O12 -","4","2","SJ4099","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; El Aroussi, Fatima; Ouzidan, Younes","4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170516","","10.1107/S2414314617005168","","","1.54178","CuKα","","0.063","0.0492","","","0.1462","0.1969","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546697","12.9107","0.0007","17.872","0.0008","21.6094","0.0011","90","","95.0374","0.0016","90","","4966.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate","","- C37 H76 B N3 O Si4 -","- C37 H76 B N3 O Si4 -","- C148 H304 B4 N12 O4 Si16 -","4","1","HB4136","Oberparleiter, Stefan; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Kunze-Liebhäuser, Julia; Schottenberger, Herwig","Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate","IUCrData","2017","2","5","x170724","","10.1107/S2414314617007246","","","0.71073","MoKα","","0.1089","0.0679","","","0.1721","0.1931","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","199291","2020-10-21","18:00:00",""
"1546698","7.7829","0.0003","7.4284","0.0003","21.9087","0.0007","90","","94.399","0.003","90","","1262.91","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide","","- C11 H14 N2 O2 S2 -","- C11 H14 N2 O2 S2 -","- C44 H56 N8 O8 S8 -","4","1","FF4015","Nath, Paras; Bharty, Manoj K.; Butcher, Ray J.; Jasinski, Jerry P.","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide","IUCrData","2017","2","4","x170489","","10.1107/S2414314617004898","","","1.54178","CuKα","","0.0486","0.046","","","0.1217","0.1247","","","","","","1.075","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546699","8.4015","0.0006","9.0041","0.0006","9.1465","0.0007","114.214","0.003","101.275","0.004","90.978","0.003","615.19","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","SJ4106","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one","IUCrData","2017","2","5","x170656","","10.1107/S2414314617006563","","","1.54178","CuKα","","0.0459","0.0412","","","0.104","0.1122","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546700","7.2074","0.001","13.1851","0.0015","14.848","0.002","90","","102.505","0.014","90","","1377.5","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","XU4026","Yang, Fan; Li, Yang; Zhou, Shu-Jing","5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one","IUCrData","2017","2","4","x170490","","10.1107/S2414314617004904","","","0.71073","MoKα","","0.0937","0.0469","","","0.0914","0.1109","","","","","","0.978","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546701","6.767","0.005","6.817","0.005","15.864","0.005","90","","99.391","0.005","90","","722","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis[(oxan-2-yl)oxy]benzene","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","0.5","HB4130","Raj, Radhakrishnan Mohan; Lekha, Logu; Viswanathan, Vijayan; Velmurugan, Devadasan; Easwaramoorthy, Deivanayagam","1,4-Bis[(oxan-2-yl)oxy]benzene","IUCrData","2017","2","5","x170717","","10.1107/S2414314617007179","","","0.71073","MoKα","","0.0413","0.0326","","","0.0786","0.084","","","","","","1.094","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546702","47.514","0.008","7.1015","0.0011","6.1289","0.001","90","","96.037","0.009","90","","2056.5","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C104 H88 N16 O8 -","4","1","SU4134","Faizi, Md. Serajul Haque; Dege, Necmi; Goleva, Kateryna","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","IUCrData","2017","2","4","x170548","","10.1107/S241431461700548X","","","0.71073","MoKα","","0.0722","0.0426","","","0.0821","0.0919","","","","","","1.005","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546703","4.8462","0.001","7.8042","0.0016","30.996","0.006","90","","90","","90","","1172.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(2,4,6-Trimethylphenyl)butan-2-one","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","","Zhang, Lang-Jing; Kou, Jun-Feng; Liu, Feng-Yi","4-(2,4,6-Trimethylphenyl)butan-2-one","IUCrData","2017","2","5","x170675","","10.1107/S2414314617006757","","","0.71073","MoKα","","0.131","0.0806","","","0.148","0.1684","","","","","","1.085","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546704","8.7148","0.0009","13.5652","0.0017","14.7832","0.0019","91.562","0.005","96.341","0.004","103.776","0.004","1684.4","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","5,7-Dimethyl-1<i>H</i>-indole-2,3-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","4","HB4133","Perez, Matthew F.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","5,7-Dimethyl-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170444","","10.1107/S2414314617004448","","","0.71073","MoKα","","0.0885","0.0626","","","0.1701","0.1886","","","","","","1.103","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546705","33.2932","0.001","7.9284","0.0002","5.7903","0.0002","90","","90","","90","","1528.42","0.08","100","","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Biphenyl-4-yl 4-methylbenzenesulfonate","","- C19 H16 O3 S -","- C19 H16 O3 S -","- C76 H64 O12 S4 -","4","1","BT4056","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","Biphenyl-4-yl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170982","","10.1107/S2414314617009828","","","0.71073","MoKα","","0.0315","0.0255","","","0.0557","0.057","","","","","","0.983","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546706","13.269","0.0006","15.6721","0.0007","7.2136","0.0003","90","","99.029","0.002","90","","1481.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone","","- C15 H10 Br N3 O3 -","- C15 H10 Br N3 O3 -","- C60 H40 Br4 N12 O12 -","4","1","ZP4013","Boulhaoua, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone","IUCrData","2017","2","4","x170559","","10.1107/S2414314617005594","","","0.71073","MoKα","","0.0602","0.0378","","","0.0923","0.1023","","","","","","1.046","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546707","22.1001","0.0008","6.7624","0.0002","24.5714","0.0007","90","","104.835","0.003","90","","3549.8","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","","- C23 H21 N2 O0.5 -","- C23 H21 N2 O0.5 -","- C184 H168 N16 O4 -","8","1","","Loughzail, Mohamed; Adardour, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","IUCrData","2017","2","7","x171070","","10.1107/S2414314617010707","","","1.54184","CuKα","","0.0741","0.0579","","","0.1538","0.1718","","","","","","1.07","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546708","25.6622","0.0008","8.7731","0.0003","10.3928","0.0003","90","","101.847","0.001","90","","2289.96","0.13","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C92 H104 N16 O28 -","4","1","BT4048","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ben-Tama, Abdeslem; Essassi, El Mokhtar","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170670","","10.1107/S2414314617006708","","","1.54178","CuKα","","0.0257","0.0249","","","0.0634","0.0641","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546709","8.7749","0.0007","9.9403","0.0007","10.4475","0.0008","76.03","0.006","66.511","0.007","85.843","0.006","810.76","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C19 H13 Br Cl N3 -","- C19 H13 Br Cl N3 -","- C38 H26 Br2 Cl2 N6 -","2","1","VM4023","Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2017","2","6","x170899","","10.1107/S2414314617008999","","","1.54184","CuKα","","0.0517","0.0443","","","0.1162","0.1244","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546710","17.9752","0.0008","17.4403","0.0008","9.2472","0.0004","90","","102.892","0.001","90","","2825.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","2","BV4007","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid","IUCrData","2017","2","1","x170120","","10.1107/S2414314617001201","","","0.71073","MoKα","","0.0624","0.0478","","","0.1353","0.1455","","","","","","1.109","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546711","7.37174","0.00013","12.5726","0.0003","26.4454","0.0005","90","","90","","90","","2451.01","0.09","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","","- C11 H9 F3 N2 O3 S -","- C11 H9 F3 N2 O3 S -","- C88 H72 F24 N16 O24 S8 -","8","1","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","IUCrData","2017","2","5","x170689","","10.1107/S2414314617006897","","","0.71075","MoKα","","","0.0284","","","","0.0772","","","","","","1.036","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546712","13.9863","0.0005","7.8783","0.0003","18.5549","0.0007","90","","100.786","0.001","90","","2008.41","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one","","- C9 H6 Br N3 O3 -","- C9 H6 Br N3 O3 -","- C72 H48 Br8 N24 O24 -","8","2","FF4017","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one","IUCrData","2017","2","5","x170660","","10.1107/S2414314617006605","","","0.71073","MoKα","","0.03","0.0233","","","0.0598","0.0615","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546713","11.3277","0.0003","12.3257","0.0003","15.5274","0.0004","112.59","0.0006","90.7806","0.0007","92.9221","0.0007","1997.74","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)","","- C18 H36 N2 P2 -","- C18 H36 N2 P2 -","- C72 H144 N8 P8 -","4","2","RZ4017","Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Rosenthal, Uwe","1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)","IUCrData","2017","2","6","x170903","","10.1107/S2414314617009038","","","0.71073","MoKα","","0.0481","0.035","","","0.0874","0.0949","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546714","6.0108","0.0005","7.9243","0.0006","19.8388","0.0016","90","","94.271","0.004","90","","942.33","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate","","- C10 H9 N S -","- C10 H9 N S -","- C40 H36 N4 S4 -","4","1","HB4134","Khan, Ezzat; Shahzad, Adnan; Tahir, M. Nawaz; Ateeq, Muhammad","(2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate","IUCrData","2017","2","4","x170549","","10.1107/S2414314617005491","","","0.71073","MoKα","","0.063","0.0426","","","0.1007","0.112","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546715","13.3937","0.0008","8.9106","0.0004","13.394","0.0007","90","","99.765","0.005","90","","1575.36","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H12 Cl N O S -","- C18 H12 Cl N O S -","- C72 H48 Cl4 N4 O4 S4 -","4","1","SJ4119","Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2017","2","6","x170889","","10.1107/S2414314617008896","","","1.54184","CuKα","","0.0579","0.0488","","","0.1303","0.1376","","","","","","1.025","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546716","7.8066","0.0002","8.9238","0.0002","11.9303","0.0003","106.583","0.002","94.701","0.002","111.358","0.002","725.58","0.04","100","","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dimethoxyphenyl 4-methylbenzenesulfonate","","- C15 H16 O5 S -","- C15 H16 O5 S -","- C30 H32 O10 S2 -","2","1","BT4054","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","3,5-Dimethoxyphenyl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170980","","10.1107/S2414314617009804","","","0.71073","MoKα","","0.0366","0.0286","","","0.0749","0.0768","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546717","9.894","0.0003","10.1125","0.0002","24.8655","0.0007","90","","95.096","0.001","90","","2478.04","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine","","- C28 H29 N5 O -","- C28 H29 N5 O -","- C112 H116 N20 O4 -","4","1","SJ4117","Boukhssas, Salaheddine; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine","IUCrData","2017","2","6","x170860","","10.1107/S2414314617008604","","","0.71073","MoKα","","0.0439","0.0364","","","0.0979","0.1016","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546718","15.6744","0.0012","6.9475","0.0005","11.988","0.0008","90","","90","","90","","1305.47","0.16","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","0.5","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","IUCrData","2017","2","4","x170584","","10.1107/S2414314617005843","","","0.71073","MoKα","","0.0468","0.0401","","","0.1033","0.11","","","","","","1.063","","","","has coordinates,has Fobs","199314","2020-10-21","18:00:00",""
"1546719","11.946","0.0001","13.218","0.0002","17.434","0.0002","109.348","0.001","96.35","0.001","98.881","0.002","2527.33","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(4,6-di-<i>tert</i>-butyl-2-{<i>N</i>-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)","","- C50 H70 Co N4 O2 -","- C50 H70 Co N4 O2 -","- C100 H140 Co2 N8 O4 -","2","1","RZ4015","Rani, C.Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)","IUCrData","2017","2","6","x170784","","10.1107/S2414314617007842","","","0.71073","MoKα","","0.0692","0.0492","","","0.1375","0.1464","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546720","12.2269","0.0004","6.7034","0.0003","14.0817","0.0005","90","","90","","90","","1154.16","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","SJ4124","Filali Baba, Yassir; Kandri Rodi, Youssef; Hayani, Sonia; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","6","x170917","","10.1107/S2414314617009178","","","1.54184","CuKα","","0.0503","0.0419","","","0.1125","0.1189","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","199316","2020-10-21","18:00:00",""
"1546721","8.5041","0.0005","8.6959","0.0005","12.5024","0.0008","71.002","0.001","88.165","0.001","72.572","0.001","831.87","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","SJ4081","Ramli, Youssef; Akrad, Rachida; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Mague, Joel T.","Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate","IUCrData","2017","2","1","x170098","","10.1107/S2414314617000980","","","0.71073","MoKα","","0.0679","0.0467","","","0.1145","0.1302","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546722","14.201","0.003","7.3285","0.0012","12.974","0.004","90","","105.89","0.02","90","","1298.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-nitro-1-(2-phenylethyl)benzene","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB4131","Manjunath, N. K.; Nabil Najib, A. A.; Nagendra, P.; Siddaraju, B. P; Swamy, M. T.; Byrappa, K.; Madan Kumar, S.","4-Chloro-2-nitro-1-(2-phenylethyl)benzene","IUCrData","2017","2","4","x170547","","10.1107/S2414314617005478","","","0.71073","MoKα","","0.124","0.0698","","","0.1766","0.2198","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","199318","2020-10-21","18:00:00",""
"1546723","7.5018","0.0003","7.6661","0.0003","21.4332","0.0009","93.743","0.001","94.776","0.001","106.197","0.001","1174.52","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","","- C23 H27 N9 O2 -","- C23 H27 N9 O2 -","- C46 H54 N18 O4 -","2","1","SU4153","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul","6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","IUCrData","2017","2","6","x170829","","10.1107/S241431461700829X","","","0.71073","MoKα","","0.0628","0.0452","","","0.1222","0.1329","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546724","13.267","0.007","5.105","0.0018","18.866","0.009","90","","109.67","0.02","90","","1203.2","1","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C15 H9 Cl O3 -","- C15 H9 Cl O3 -","- C60 H36 Cl4 O12 -","4","1","ZL4017","Zingales, Sarah; Padgett, Clifford","2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","IUCrData","2017","2","7","x170996","","10.1107/S2414314617009968","","","0.71073","MoKα","","0.103","0.0593","","","0.1258","0.1482","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546725","9.4087","0.0005","15.5422","0.0007","14.6143","0.0007","90","","91.077","0.001","90","","2136.7","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Gomathi, S.; Dravida Thendral, Era; Sivakumar, G.; Sabari, V.; Usha, G.","Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","IUCrData","2017","2","6","x170812","","10.1107/S2414314617008124","","","0.71073","MoKα","","0.0659","0.0482","","","0.1315","0.1463","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546726","6.8521","0.0004","23.1503","0.0013","15.0422","0.0008","90","","99.365","0.001","90","","2354.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C28 H25 N3 O3 S -","- C28 H25 N3 O3 S -","- C112 H100 N12 O12 S4 -","4","1","HB4146","Ahn, Seunghyun; Lim, Yoongho; Sung, Jiha; Koh, Dongsoo","3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","IUCrData","2017","2","5","x170732","","10.1107/S2414314617007325","","","0.71073","MoKα","","0.0988","0.0479","","","0.117","0.1465","","","","","","0.959","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546727","11.5598","0.0003","13.3787","0.0004","17.3035","0.0005","111.756","0.001","96.694","0.002","98.293","0.001","2417.01","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Bis{<i>N</i>-[(4-dimethylamino)phenyl]-3,5-di-<i>tert</i>-butylsalicylaldiminato}cobalt(II)","Bis(2,4-di-<i>tert</i>-butyl-6-{<i>N</i>-[4-(dimethylamino)phenyl]\ carboximidoyl}phenolato)cobalt(II)","","- C46 H62 Co N4 O2 -","- C46 H62 Co N4 O2 -","- C92 H124 Co2 N8 O4 -","2","1","RZ4012","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","Bis{3,5-di-<i>tert</i>-butyl-<i>N</i>-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II)","IUCrData","2017","2","4","x170525","","10.1107/S2414314617005259","","","0.71073","MoKα","","0.0878","0.0578","","","0.1634","0.175","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199323","2020-10-21","18:00:00",""
"1546728","14.152","0.002","9.8983","0.0016","15.9939","0.0019","90","","90","","90","","2240.4","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","MeN(CH~2~CMe~2~OH)~2~","1-[(2-Hydroxy-2-methylpropyl)methylamino]-2-methylpropan-2-ol","","- C9 H21 N O2 -","- C9 H21 N O2 -","- C72 H168 N8 O16 -","8","2","BT4050","Lutter, Michael; Gock, Vinusuya; Jurkschat, Klaus","The amino alcohol MeN(CH~2~CMe~2~OH)~2~","IUCrData","2017","2","6","x170799","","10.1107/S2414314617007994","","","0.71073","MoKα","","0.1212","0.0391","","","0.0413","0.045","","","","","","0.8","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546729","14.5077","0.001","7.9149","0.0004","14.8297","0.0008","90","","106.803","0.007","90","","1630.15","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","","- C17 H29 N O3 -","- C17 H29 N O3 -","- C68 H116 N4 O12 -","4","2","","Benharref, Amed; Ait Elhad, Mustapha; Mazoir, Noureddine; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","IUCrData","2017","2","7","x170970","","10.1107/S2414314617009701","","","0.71073","MoKα","","0.0938","0.0552","","","0.1022","0.1145","","","","","","0.99","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546730","7.425","0.001","9.952","0.002","24.359","0.004","85.076","0.005","83.431","0.005","88.72","0.005","1781.4","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione","","- C13 H9 F13 N2 S -","- C13 H9 F13 N2 S -","- C52 H36 F52 N8 S4 -","4","2","SJ4108","Partl, Gabriel; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione","IUCrData","2017","2","5","x170648","","10.1107/S2414314617006484","","","0.71073","MoKα","","0.0885","0.0665","","","0.1609","0.1759","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546731","6.1921","0.0008","9.9443","0.0013","10.3761","0.0012","114.71","0.009","102.121","0.01","92.239","0.011","561.66","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]","","- C16 H32 Ag2 Cl2 S4 -","- C16 H32 Ag2 Cl2 S4 -","- C16 H32 Ag2 Cl2 S4 -","1","0.5","BT4051","Liebing, Phil","Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]","IUCrData","2017","2","6","x170921","","10.1107/S241431461700921X","","","0.71073","MoKα","","0.0694","0.05","","","0.1208","0.1251","","","","","","0.875","","","","has coordinates,has Fobs","199327","2020-10-21","18:00:00",""
"1546732","12.2974","0.0004","13.7295","0.0004","14.8952","0.0005","90","","90","","90","","2514.86","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C88 H152 N24 S8 -","8","2","SJ4102","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","IUCrData","2017","2","4","x170513","","10.1107/S2414314617005132","","","1.54178","CuKα","","0.0286","0.0278","","","0.0696","0.0703","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546739","3.7592","0.0009","6.7317","0.0013","25.29","0.005","90","","93.106","0.014","90","","639","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methylpyrazine-2-carboxamide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","SU4158","Rillema, D. Paul; Senaratne, Nilmini K.; Moore, Curtis; KomReddy, Venugopal","5-Methylpyrazine-2-carboxamide","IUCrData","2017","2","7","x171090","","10.1107/S2414314617010902","","","0.71073","MoKα","","0.0713","0.0425","","","0.0922","0.1041","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546740","6.9549","0.0005","11.6778","0.0009","12.2165","0.0009","90","","90","","90","","992.2","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","BH4025","Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Lahmidi, Sanae; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","IUCrData","2017","2","7","x171091","","10.1107/S2414314617010914","","","1.54178","CuKα","","0.0365","0.0344","","","0.0954","0.0984","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546747","16.4374","0.0009","6.2657","0.0002","12.5689","0.0006","90","","120.523","0.007","90","","1115.11","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","","- C13 H9 B F3 N O -","- C13 H9 B F3 N O -","- C52 H36 B4 F12 N4 O4 -","4","1","BT4059","Dziuk, Błażej; Ośmiałowski, Borys; Zakrzewska, Anna; Ejsmont, Krzysztof; Zarychta, Bartosz","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","IUCrData","2017","2","8","x171109","","10.1107/S2414314617011099","","","0.71073","MoKα","","0.029","0.027","","","0.0673","0.0681","","","","","","1.014","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546748","15.8203","0.0017","6.8156","0.0007","8.7275","0.0008","90","","90","","90","","941.04","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","benzylammonium nitrate","4-Methoxybenzylammonium nitrate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","0.5","BH4027","Umarani, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methoxybenzylammonium nitrate","IUCrData","2017","2","8","x171114","","10.1107/S2414314617011142","","","0.71073","MoKα","","0.0737","0.0401","","","0.1065","0.131","","","","","","1.062","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546772","9.9684","0.0007","7.8695","0.0006","16.6927","0.001","90","","106.097","0.007","90","","1258.14","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate","","- C12 H13 O6 P -","- C12 H13 O6 P -","- C48 H52 O24 P4 -","4","1","HB4160","Li, Yunfei; Xiao, Yongmei; Zhang, Xinchi; Yang, Liangru; Yuan, Jinwei; Mao, Pu","Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate","IUCrData","2017","2","8","x171119","","10.1107/S2414314617011191","","","0.71073","MoKα","","0.1238","0.0578","","","0.1372","0.1725","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:51",""
"1546773","13.7056","0.0003","10.6494","0.0002","14.9163","0.0003","90","","91.744","0.002","90","","2176.12","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate","","- C22 H23 F3 N O3 P -","- C22 H23 F3 N O3 P -","- C88 H92 F12 N4 O12 P4 -","4","1","HB4162","Jezuita, Anna; Cal, Dariusz; Zagórski, Piotr; Ejsmont, Krzysztof; Zarychta, Bartosz","Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate","IUCrData","2017","2","8","x171122","","10.1107/S2414314617011221","","","0.71073","MoKα","","0.0436","0.0309","","","0.0763","0.0786","","","","","","0.979","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546774","9.6529","0.0004","17.7072","0.0005","10.4833","0.0004","90","","114.106","0.004","90","","1635.6","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide","","","- C19 H17 B F2 N2 O -","- C19 H17 B F2 N2 O -","- C76 H68 B4 F8 N8 O4 -","4","1","BX4006","Dziuk, Błażej; Ośmiałowski, Borys; Skotnicka, Agnieszka; Ejsmont, Krzysztof; Zarychta, Bartosz","2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide","IUCrData","2017","2","8","x171141","","10.1107/S2414314617011415","","","0.71073","MoKα","","0.043","0.0308","","","0.0778","0.0803","","","","","","0.98","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546782","9.3432","0.0006","10.4314","0.0008","18.0901","0.0014","90","","90","","90","","1763.1","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","SJ4129","Karai, Oumaima; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","IUCrData","2017","2","8","x171155","","10.1107/S2414314617011555","","","0.71073","MoKα","","0.0298","0.0268","","","0.0621","0.0645","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546784","11.1344","0.0006","12.0889","0.0005","12.4679","0.0006","89.171","0.003","79.125","0.003","84.202","0.003","1639.62","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","2","","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunnalakshmi, Madurai; Lakshmi, Srinivasakannan","(<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one","IUCrData","2017","2","8","x171164","","10.1107/S2414314617011646","","","0.71073","MoKα","","0.0969","0.0528","","","0.1495","0.1965","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546791","18.1884","0.001","13.5886","0.0007","18.3224","0.001","90","","94.711","0.002","90","","4513.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)","","- C55 H45 Ag N P3 S -","- C55 H45 Ag N P3 S -","- C220 H180 Ag4 N4 P12 S4 -","4","1","TK4035","Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Romyen, Monpariya; Wattanakanjana, Yupa","(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)","IUCrData","2017","2","8","x171185","","10.1107/S2414314617011853","","","0.71073","MoKα","","0.0321","0.0274","","","0.0646","0.068","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","199879","2020-10-21","18:00:00",""
"1546921","4.7434","0.0005","6.8568","0.0008","15.0374","0.0015","100.88","0.009","92.184","0.008","103.053","0.009","466.21","0.09","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]","","- C18 H21 Cl2 N O6 -","- C18 H21 Cl2 N O6 -","- C18 H21 Cl2 N O6 -","1","0.5","BH4026","Smith, Graham","Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]","IUCrData","2017","2","8","x171223","","10.1107/S2414314617012238","","","0.71073","MoKα","","0.0708","0.0516","","","0.104","0.1132","","","","","","1.046","","","","has coordinates,has Fobs","200065","2020-10-21","18:00:00",""
"1546922","30.5325","0.0014","4.8966","0.0002","11.8973","0.0005","90","","99.067","0.002","90","","1756.49","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Methylbenzylammonium chloride hemihydrate","","- C8 H13 Cl N O0.5 -","- C8 H13 Cl N O0.5 -","- C64 H104 Cl8 N8 O4 -","8","1","BV4010","Aarthi, R.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methylbenzylammonium chloride hemihydrate","IUCrData","2017","2","8","x171213","","10.1107/S2414314617012135","","","0.71073","MoKα","","0.0716","0.0405","","","0.102","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546923","10.7775","0.0003","9.6848","0.0003","12.1792","0.0004","90","","108.139","0.001","90","","1208.06","0.06","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Vinyl-4-imidazoline-2-thione","","- C5 H6 N2 S -","- C5 H6 N2 S -","- C40 H48 N16 S8 -","8","1","QM4003","Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1-Vinyl-4-imidazoline-2-thione","IUCrData","2017","2","8","x171207","","10.1107/S241431461701207X","","","0.71073","MoKα","","0.026","0.0241","","","0.0634","0.0649","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1546924","6.1708","0.0002","16.9596","0.0007","14.2882","0.0006","90","","99.9699","0.0019","90","","1472.74","0.1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(Pyridin-2-yl)-1,8-naphthyridine","","- C13 H9 N3 -","- C13 H9 N3 -","- C78 H54 N18 -","6","3","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)-1,8-naphthyridine","IUCrData","2017","2","8","x171221","","10.1107/S2414314617012214","","","0.71075","MoKα","","","0.033","","","","0.0929","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:51",""
"1548666","12.589","0.007","12.589","0.007","13.689","0.007","90","","90","","90","","2169","2","223","2","223","2","","","","","","","","6","I -4","I -4","82","","Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)","","- C36 H56 Fe O4 P Si4 -","- C36 H56 Fe O4 P Si4 -","- C72 H112 Fe2 O8 P2 Si8 -","2","0.25","SJ4151","Hay, Michael T.; Yennawar, Hemant P.","Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)","IUCrData","2018","3","1","x171823","","10.1107/S2414314617018235","","","0.71073","MoKα","","0.044","0.0361","","","0.075","0.078","","","","","","0.916","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548667","28.1477","0.0008","17.3385","0.0007","26.1837","0.001","90","","90","","90","","12778.7","0.8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one","","- C17 H10 Cl4 O -","- C17 H10 Cl4 O -","- C544 H320 Cl128 O32 -","32","2","HG4033","Dravida Thendral, Era; Mohamooda Sumaya, U.; Gomathi, S.; Biruntha, K.; Usha, G.","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one","IUCrData","2018","3","1","x171822","","10.1107/S2414314617018223","","","0.71073","MoKα","","0.0637","0.04","","","0.0752","0.0854","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","205175","2020-10-21","18:00:00",""
"1548668","11.9896","0.0009","18.4215","0.0013","10.9903","0.001","90","","110.153","0.009","90","","2278.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline","","- C26 H27 N5 O -","- C26 H27 N5 O -","- C104 H108 N20 O4 -","4","1","","Singh, Vikram. D.; Anthal, Sumati; Desai, N. R.; Arunakumar, D. B.; Sreenivasa, S.; Kamni; Kant, Rajni","3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline","IUCrData","2018","3","1","x180030","","10.1107/S2414314618000305","","","0.71073","MoKα","","0.137","0.0635","","","0.1272","0.1649","","","","","","1.003","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548669","5.6487","0.0003","16.7479","0.0011","16.9726","0.0014","90","","90","","90","","1605.67","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate","","- C15 H16 N4 O3 S -","- C15 H16 N4 O3 S -","- C60 H64 N16 O12 S4 -","4","1","HB4198","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate","IUCrData","2018","3","1","x171852","","10.1107/S2414314617018521","","","0.71073","MoKα","","0.0697","0.0477","","","0.1135","0.1297","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548670","32.387","0.003","9.8559","0.0015","5.0043","0.0008","90","","90","","90","","1597.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","HB4196","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate","IUCrData","2018","3","1","x171840","","10.1107/S2414314617018405","","","0.71073","MoKα","","0.0764","0.0545","","","0.1369","0.1493","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:54",""
"1548671","10.422","0.0007","13.4232","0.0005","23.8943","0.0014","90","","90.198","0.006","90","","3342.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)thiazole","","- C37 H28 Br Cl N8 S -","- C37 H28 Br Cl N8 S -","- C148 H112 Br4 Cl4 N32 S4 -","4","1","XU4033","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)thiazole","IUCrData","2018","3","1","x180036","","10.1107/S2414314618000366","","","0.71073","MoKα","","0.1355","0.0625","","","0.147","0.1833","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548672","8.5395","0.0013","8.9377","0.0013","23.444","0.004","90","","91.066","0.002","90","","1789","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hexyl-5,5-diphenylimidazolidine-2,4-dione","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","2","VM4032","Guerrab, Walid; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef","3-Hexyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x180057","","10.1107/S2414314618000573","","","0.71073","MoKα","","0.0549","0.0444","","","0.1075","0.1119","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548673","8.492","0.0004","8.5213","0.0004","12.6353","0.0006","91.9","0.001","99.41","0.001","115.117","0.001","811.33","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Butyl-5,5-diphenylimidazolidine-2,4-dione","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","ZQ4026","Guerrab, Walid; Mague, Joel T.; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Ramli, Youssef","3-Butyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x180050","","10.1107/S2414314618000500","","","0.71073","MoKα","","0.0467","0.041","","","0.117","0.1202","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548674","8.8897","0.0005","13.2911","0.0007","16.6864","0.0009","67.9","0.001","81.027","0.001","74.294","0.001","1755.27","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Benzyl-5,5-diphenylimidazolidine-2,4-dione","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","2","VM4031","Guerrab, Walid; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef","3-Benzyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x171832","","10.1107/S2414314617018326","","","0.71073","MoKα","","0.0613","0.0469","","","0.1224","0.1293","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548675","4.0047","0.0002","13.2585","0.0008","7.3356","0.0004","90","","97.44","0.003","90","","386.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","I","3,5-Dibromobenzonitrile","","- C7 H3 Br2 N -","- C7 H3 Br2 N -","- C14 H6 Br4 N2 -","2","0.5","SJ4154","Noland, Wayland E.; Tritch, Kenneth J.","3,5-Dibromobenzonitrile","IUCrData","2018","3","1","x180059","","10.1107/S2414314618000597","","","0.71073","MoKα","","0.0306","0.0244","","","0.0562","0.058","","","","","","1.074","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548676","4.7215","0.0004","10.0181","0.0009","8.7689","0.0008","90","","93.023","0.004","90","","414.2","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RNC","2,6-Dibromo-4-chlorophenyl isocyanide","","- C7 H2 Br2 Cl N -","- C7 H2 Br2 Cl N -","- C14 H4 Br4 Cl2 N2 -","2","0.5","SJ4150","Noland, Wayland E.; Tritch, Kenneth J.","2,6-Dibromo-4-chlorophenyl isocyanide","IUCrData","2018","3","1","x171819","","10.1107/S2414314617018193","","","0.71073","MoKα","","0.0233","0.0206","","","0.0484","0.05","","","","","","1.083","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548677","5.9238","0.0014","9.735","0.002","22.444","0.008","90","","90","","90","","1294.3","0.6","176","2","176","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-4-nitropyridine <i>N</i>-oxide","","- C5 H3 Cl N2 O3 -","- C5 H3 Cl N2 O3 -","- C40 H24 Cl8 N16 O24 -","8","1","TK4042","Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W.","2-Chloro-4-nitropyridine <i>N</i>-oxide","IUCrData","2018","3","1","x180016","","10.1107/S2414314618000160","","","0.71073","MoKα","","0.0718","0.0496","","","0.1204","0.1316","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548678","8.0762","0.0004","6.2486","0.0004","14.5096","0.001","90","","92.161","0.002","90","","731.71","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Carboxy-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate monohydrate","","- C11 H19 N O7 S -","- C11 H19 N O7 S -","- C22 H38 N2 O14 S2 -","2","1","TK4043","Prabu, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","1-Carboxy-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate monohydrate","IUCrData","2018","3","1","x171848","","10.1107/S241431461701848X","","","0.71073","MoKα","","0.0559","0.0371","","","0.0728","0.0811","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548679","12.2617","0.0007","8.0222","0.0004","12.7397","0.0007","90","","112.38","0.006","90","","1158.76","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea","","- C10 H13 Br N2 S -","- C10 H13 Br N2 S -","- C40 H52 Br4 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea","IUCrData","2018","3","1","x180045","","10.1107/S2414314618000457","","","1.54184","CuKα","","0.0435","0.0377","","","0.1082","0.1153","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548680","9.1617","0.0002","10.2307","0.0003","16.8581","0.0005","90","","92.812","0.003","90","","1578.22","0.07","291","2","291.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Benzoyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl acetate","","- C19 H14 O5 -","- C19 H14 O5 -","- C76 H56 O20 -","4","1","HB4199","Cao, Yi; Mai, Wenpeng; Yuan, Jinwei","3-Benzoyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl acetate","IUCrData","2018","3","1","x180015","","10.1107/S2414314618000159","","","1.54184","CuKα","","0.0563","0.0484","","","0.1288","0.1381","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548681","4.6637","0.0003","9.4598","0.0006","11.9898","0.0007","111.639","0.005","101.035","0.005","93.712","0.005","477.25","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate","","- C8 H7 Br Cl N O2 -","- C8 H7 Br Cl N O2 -","- C16 H14 Br2 Cl2 N2 O4 -","2","1","SJ4153","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate","IUCrData","2018","3","1","x180054","","10.1107/S2414314618000548","","","1.54184","CuKα","","0.0248","0.0239","","","0.0627","0.0633","","","","","","1.076","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548682","8.1891","0.0004","14.1804","0.0006","14.505","0.0006","68.075","0.004","84.22","0.004","74.627","0.004","1506.65","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(4-Fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]prop-2-en-1-one","","- C18 H13 F2 N3 O -","- C18 H13 F2 N3 O -","- C72 H52 F8 N12 O4 -","4","2","HB4197","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-3-(4-Fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]prop-2-en-1-one","IUCrData","2018","3","1","x171841","","10.1107/S2414314617018417","","","0.71073","MoKα","","0.0863","0.0526","","","0.1202","0.1409","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548683","7.6756","0.0002","13.6762","0.0003","17.6561","0.0004","90","","110.442","0.002","90","","1736.7","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine- 2,4-dione","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","ZQ4025","Balakumaran, K.; Mosesbabu, J.; Anireddy, Jayashree; Chakkaravarthi, G.","(<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine-2,4-dione","IUCrData","2018","3","1","x171839","","10.1107/S2414314617018399","","","1.54184","CuKα","","0.0461","0.0404","","","0.1092","0.1152","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548684","7.5971","0.0004","9.9501","0.0005","28.569","0.0013","90","","95.086","0.002","90","","2151.08","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C80 H64 Br8 N24 O16 -","8","2","HB4194","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","IUCrData","2018","3","1","x171837","","10.1107/S2414314617018375","","","1.54178","CuKα","","0.0852","0.0792","","","0.2135","0.2174","","","","","","1.191","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548685","9.8152","0.0003","10.0783","0.0002","22.512","0.0007","90","","90","","90","","2226.9","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","","- C10 H11 F3 N2 O -","- C10 H11 F3 N2 O -","- C80 H88 F24 N16 O8 -","8","1","HB4201","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","IUCrData","2018","3","1","x180040","","10.1107/S2414314618000408","","","1.54184","CuKα","","0.0563","0.0435","","","0.1281","0.1393","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:54",""
"1548726","11.172","0.007","8.532","0.005","16.287","0.014","90","","106.54","0.03","90","","1488.2","1.8","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(-2-Isopropyl-4,7-dimethyl-3-nitronaphthalen-1-yl)ethanone","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","1-(2-Isopropyl-4,7-dimethyl-3-nitronaphthalen-1-yl)ethanone","IUCrData","2018","3","1","x180083","","10.1107/S2414314618000834","","","0.71073","MoKα","","0.0459","0.0415","","","0.1222","0.1266","","","","","","1.081","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548727","7.57","0.002","10.206","0.003","11.549","0.004","113.4","0.002","90.01","0.003","108.607","0.003","767.8","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","Bis(4,6-dimethyldibenzothiophene) 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane","Bis[6,10-dimethyl-8-thiatricyclo[7.4.0.0^2,7^]trideca-1(9),2,4,6,10,12-hexaene] 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile","","- C40 H24 F4 N4 S2 -","- C40 H24 F4 N4 S2 -","- C40 H24 F4 N4 S2 -","1","0.5","IS4022","Fujii, Takuya; Yamakado, Hideo","The 2:1 charge-transfer complex of 4,6-dimethyldibenzothiophene and 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane","IUCrData","2018","3","1","x180077","","10.1107/S2414314618000779","","","0.71075","MoKα","","0.041","0.0345","","","0.0871","0.0914","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548728","3.7363","0.0002","7.0071","0.0003","12.5877","0.0006","90","","94.8144","0.0016","90","","328.39","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","meta-nitrobenzaldehyde m-nitrobenzaldehyde","3-Nitrobenzaldehyde","","- C7 H5 N O3 -","- C7 H5 N O3 -","- C14 H10 N2 O6 -","2","1","HB4202","Engwerda, Antonius H.J.; Brugman, Sander J.T.; Tinnemans, Paul; Vlieg, Elias","3-Nitrobenzaldehyde","IUCrData","2018","3","1","x180092","","10.1107/S2414314618000925","","","0.71073","MoKα","","0.0337","0.0299","","","0.0863","0.089","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548729","18.3427","0.0014","13.5855","0.001","16.9385","0.0012","90","","110.393","0.009","90","","3956.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-({6-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]imidazo[2,1-<i>b</i>]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate","","- C71 H71 N33 O S8 -","- C71 H71 N33 O S8 -","- C142 H142 N66 O2 S16 -","2","0.5","HB4203","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","2-({6-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]imidazo[2,1-<i>b</i>]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate","IUCrData","2018","3","1","x180087","","10.1107/S2414314618000871","","","0.71073","MoKα","","0.124","0.0639","","","0.1459","0.181","","","","","","1.042","","","","has coordinates,has Fobs","205436","2020-10-21","18:00:00",""
"1548730","15.0387","0.0012","6.8105","0.0003","24.385","0.002","90","","106.473","0.008","90","","2395","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C27 H20 Br N5 O -","- C27 H20 Br N5 O -","- C108 H80 Br4 N20 O4 -","4","1","ZL4022","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","IUCrData","2018","3","1","x180069","","10.1107/S241431461800069X","","","0.71073","MoKα","","0.1264","0.0566","","","0.1492","0.1878","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:54",""
"1548731","10.4355","0.0004","8.6955","0.0004","25.7106","0.0009","90","","95.42","0.003","90","","2322.6","0.16","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(3-Oxo-3-phenylprop-1-enyl)thiophene-3-carbaldehyde","","- C14 H10 O2 S -","- C14 H10 O2 S -","- C112 H80 O16 S8 -","8","2","BX4009","Elumalai, K.; Raja, R.; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.; Murugesan, K. Sakthi","(<i>E</i>)-2-(3-Oxo-3-phenylprop-1-enyl)thiophene-3-carbaldehyde","IUCrData","2018","3","1","x180041","","10.1107/S241431461800041X","","","0.71073","MoKα","","0.0614","0.042","","","0.1052","0.116","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548785","6.717","0.002","8.155","0.003","19.936","0.006","85.032","0.003","85.188","0.003","65.893","0.003","991.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate","","- C21 H17 F6 N2 O P -","- C21 H17 F6 N2 O P -","- C42 H34 F12 N4 O2 P2 -","2","1","","Xu, Hong-Kang; Kong, Lin; Li, Fei","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate","IUCrData","2017","2","12","x171735","","10.1107/S2414314617017357","","","0.71073","MoKα","","0.0856","0.0802","","","0.2401","0.2463","","","","","","1.078","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548786","12.3775","0.0009","12.3775","0.0009","12.3775","0.0009","90","","90","","90","","1896.3","0.2","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Poly[bis[(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]","","- C12 H20 Cd Cu2 N8 -","- C12 H20 Cd Cu2 N8 -","- C48 H80 Cd4 Cu8 N32 -","4","0.166667","IS4021","Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka","Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]]","IUCrData","2017","2","12","x171771","","10.1107/S2414314617017710","","","0.71073","MoKα","","0.0206","0.017","","","0.0426","0.0443","","","","","","1.107","","","","has coordinates,has Fobs","205731","2020-10-21","18:00:00",""
"1548787","22.656","0.002","12.2607","0.0012","10.2189","0.001","90","","100.363","0.004","90","","2792.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","RZ4020","Kaoukabi, Hanane; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","IUCrData","2017","2","12","x171802","","10.1107/S2414314617018028","","","0.71073","MoKα","","0.0715","0.0459","","","0.1156","0.1333","","","","","","1.024","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548788","6.922","0.003","8.498","0.003","14.064","0.005","78.3","0.03","85.51","0.03","69.1","0.03","756.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C30 H32 Br2 N2 O8 -","2","1","","Atalay, Şehriman; Aygün, Seda Nur; Meral, Seher; Ağar, Erbil","(<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate","IUCrData","2017","2","12","x171730","","10.1107/S2414314617017308","","","0.71073","MoKα","","0.0795","0.0512","","","0.1185","0.1307","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548789","10.5214","0.0004","13.2896","0.0006","13.368","0.0006","107.331","0.003","109.298","0.002","99.272","0.003","1612.66","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","","- C18 H15 N3 O2 S -","- C18 H15 N3 O2 S -","- C72 H60 N12 O8 S4 -","4","2","TK4041","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Al-Taifi, Elham A.","5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","IUCrData","2017","2","12","x171700","","10.1107/S241431461701700X","","","1.54178","CuKα","","0.0939","0.0657","","","0.1362","0.1532","","","","","","1.063","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548790","11.517","0.0006","8.7431","0.0004","22.2595","0.0013","90","","90","","90","","2241.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C104 H72 N8 O32 -","8","1","HB4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","IUCrData","2017","2","12","x171820","","10.1107/S241431461701820X","","","0.71073","MoKα","","0.0905","0.0508","","","0.106","0.1279","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548791","13.4521","0.0015","7.181","0.0007","34.204","0.003","90","","90","","90","","3304.1","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","","","- C19 H14 Br F N2 O -","- C19 H14 Br F N2 O -","- C152 H112 Br8 F8 N16 O8 -","8","1","HB4185","Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","IUCrData","2017","2","12","x171708","","10.1107/S2414314617017084","","","0.71073","MoKα","","0.1458","0.0548","","","0.0824","0.1104","","","","","","0.97","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548792","9.0951","0.0005","13.9582","0.0007","14.1083","0.0007","61.646","0.001","80.859","0.001","83.665","0.001","1554.92","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5-Diphenyl-3-propylimidazolidine-2,4-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","VM4030","Guerrab, Walid; Mague, Joel T.; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Ramli, Youssef","5,5-Diphenyl-3-propylimidazolidine-2,4-dione","IUCrData","2017","2","12","x171808","","10.1107/S2414314617018089","","","0.71073","MoKα","","0.0608","0.0497","","","0.1411","0.1485","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548793","4.5971","0.0004","6.4372","0.0007","25.237","0.002","86.984","0.008","86.173","0.007","78.096","0.008","728.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2-{(E)-[(3-chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","","- C15 H11 Cl F3 N O2 -","- C15 H11 Cl F3 N O2 -","- C30 H22 Cl2 F6 N2 O4 -","2","1","","Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Bülbül, Hakan","2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","IUCrData","2017","2","12","x171725","","10.1107/S2414314617017254","","","0.71073","MoKα","","0.1316","0.0605","","","0.1534","0.1811","","","","","","0.886","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548794","4.8078","0.0003","7.7314","0.0004","17.8011","0.001","93.412","0.001","94.564","0.001","103.05","0.001","640.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","SJ4148","Missioui, Mohcine; Mague, Joel T.; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Ramli, Youssef","Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate","IUCrData","2017","2","12","x171763","","10.1107/S2414314617017631","","","0.71073","MoKα","","0.0403","0.0361","","","0.1037","0.1057","","","","","","1.13","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548795","19.817","0.002","8.4268","0.0009","12.4459","0.0014","90","","101.22","0.001","90","","2038.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate","","- C23 H17 F3 N2 O3 -","- C23 H17 F3 N2 O3 -","- C92 H68 F12 N8 O12 -","4","1","HB4169","Xia, Ying; Wang, Haiyan; Yu, Jianhua; Wu, Zhichao","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate","IUCrData","2017","2","12","x171733","","10.1107/S2414314617017333","","","0.71073","MoKα","","0.0633","0.0495","","","0.1487","0.1614","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","205740","2020-10-21","18:00:00",""
"1548796","4.8809","0.0002","8.5668","0.0004","4.3433","0.0002","90","","90","","90","","181.609","0.014","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","1","HB4189","Weil, Matthias","Redetermination of the γ-form of tellurium dioxide","IUCrData","2017","2","12","x171757","","10.1107/S2414314617017576","","","0.71073","MoKα","","0.0326","0.0252","","","0.0358","0.0369","","","","","","1.022","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:39",""
"1548797","6.7395","0.0002","11.3491","0.0003","16.1078","0.0005","75.681","0.002","88.031","0.002","86.856","0.002","1191.69","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis-(4-Methylanilinium trichloroacetate)","","- C9 H10 Cl3 N O2 -","- C9 H10 Cl3 N O2 -","- C36 H40 Cl12 N4 O8 -","4","2","HB4190","Suresh, S.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium trichloroacetate","IUCrData","2017","2","12","x171767","","10.1107/S2414314617017679","","","1.54178","CuKα","","0.0675","0.0513","","","0.1181","0.1284","","","","","","1.019","","","","has coordinates,has Fobs","205742","2020-10-21","18:00:00",""
"1548798","23.767","0.003","5.1425","0.0003","39.806","0.01","90","","102.61","0.02","90","","4747.8","1.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","","- C22 H29 Br N4 Se2 -","- C22 H29 Br N4 Se2 -","- C176 H232 Br8 N32 Se16 -","8","1","","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","IUCrData","2017","2","12","x171746","","10.1107/S2414314617017461","","","0.71073","MoKα","","0.1324","0.0619","","","0.1199","0.1461","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548799","5.7747","0.0004","6.5171","0.0005","30.234","0.002","90","","95.342","0.007","90","","1132.89","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","IUCrData","2017","2","12","x171782","","10.1107/S2414314617017825","","","0.71073","MoKα","","0.0876","0.0598","","","0.1337","0.1523","","","","","","1.067","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548800","6.6115","0.0004","15.2036","0.0009","15.3021","0.0008","63.536","0.002","83.76","0.002","85.214","0.002","1367.75","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one","","- C32 H28 N8 O -","- C32 H28 N8 O -","- C64 H56 N16 O2 -","2","1","","Abu El-Enin, Mohammed Abu Bakr; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Ghabbour, Hazem A.; El-Hiti, Gamal A.","(<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one","IUCrData","2017","2","12","x171729","","10.1107/S2414314617017291","","","0.71073","MoKα","","0.0909","0.0582","","","0.1365","0.1543","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548801","6.0506","0.0008","13.7423","0.0018","20.886","0.003","90","","90","","90","","1736.7","0.4","150.15","","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Naphthalene-1-carbaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C88 H72 N8 O8 -","8","2","HB4179","Green, Alexander R.; Owczarzak, Kendall K.; Thomas, Mallory; Olrogg, Garrett M.; Whitver, Ethan; Crescente, Joseph V.; Peters, Joshua; Doud, Cheyann M.; Storm, Mitchell M.; Fink, Kathryn D.; Bilotti, Caroline; Cardenas, Allan Jay","Naphthalene-1-carbaldehyde oxime","IUCrData","2017","2","12","x171720","","10.1107/S2414314617017205","","","0.71073","MoKα","","0.1295","0.0687","","","0.1197","0.1389","","","","","","1.0362","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548802","4.7936","0.0007","12.9828","0.0019","14.632","0.002","90","","92.986","0.002","90","","909.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methyl-2-nitrophenoxy)butane","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","FF4019","Zhang, Huihui; Wang, Haiyan; Yu, Jianhua","1,4-Bis(4-methyl-2-nitrophenoxy)butane","IUCrData","2017","2","12","x171734","","10.1107/S2414314617017345","","","0.71073","MoKα","","0.0495","0.0427","","","0.1193","0.1236","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548803","20.3655","0.0016","7.6148","0.0007","18.2999","0.0016","90","","99.254","0.003","90","","2801","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","HB4183","Jebapriya, J. Christina; Reuben Jonathan, D.; Prasana, Johanan Christian; Usha, G.","(2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone","IUCrData","2017","2","12","x171706","","10.1107/S2414314617017060","","","0.71073","MoKα","","0.1133","0.073","","","0.1714","0.2176","","","","","","1.07","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548804","32.3691","0.0016","10.7492","0.0002","13.1332","0.0007","90","","125.578","0.007","90","","3716.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde","","- C40 H28 N3 O10 P3 -","- C40 H28 N3 O10 P3 -","- C160 H112 N12 O40 P12 -","4","0.5","HB4178","Hou, Guohui; Zhang, Yumeng; Zhu, Jing; Xiong, Anxian; Wei, Hongliang; Chu, Huijuan","4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde","IUCrData","2017","2","12","x171712","","10.1107/S2414314617017126","","","1.54184","CuKα","","0.0515","0.047","","","0.1372","0.1434","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548830","8.7208","0.0004","8.7703","0.0003","9.6278","0.0004","86.035","0.003","80.227","0.003","79.352","0.002","712.65","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenyl)-3-(2<i>H</i>-chromen-3-yl)-1,2,4-oxadiazole","","- C17 H11 Cl N2 O2 -","- C17 H11 Cl N2 O2 -","- C34 H22 Cl2 N4 O4 -","2","1","SJ4155","Baral, Nilofar; Nayak, Sabita; Pal, Satyanarayan; Mohapatra, Seetaram","5-(2-Chlorophenyl)-3-(2<i>H</i>-chromen-3-yl)-1,2,4-oxadiazole","IUCrData","2018","3","1","x180129","","10.1107/S2414314618001293","","","0.71073","MoKα","","0.0684","0.0457","","","0.1222","0.1344","","","","","","1.11","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548831","6.36","0.0002","11.0807","0.0004","11.5351","0.0004","114.539","0.004","91.465","0.003","93.401","0.003","737.06","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","7-Hydroxyhexacyclo[7.5.1.0^1,7^.0^6,13^.0^8,12^.0^10,14^]pentadecan-15-one-11-spirocyclopentane","","- C19 H24 O2 -","- C19 H24 O2 -","- C38 H48 O4 -","2","1","BH4032","Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama","7-Hydroxyhexacyclo[7.5.1.0^1,7^.0^6,13^.0^8,12^.0^10,14^]pentadecan-15-one-11-spirocyclopentane","IUCrData","2018","3","1","x180090","","10.1107/S2414314618000901","","","0.71073","MoKα","","0.0519","0.0439","","","0.1085","0.1144","","","","","","1.106","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548832","20.8533","0.0008","9.9698","0.0003","23.4151","0.0008","90","","90","","90","","4868.1","0.3","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole","","- C14 H8 N2 S Se -","- C14 H8 N2 S Se -","- C224 H128 N32 S16 Se16 -","16","4","WM4065","Schollmeyer, Dieter; Detert, Heiner","Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole","IUCrData","2018","3","1","x180070","","10.1107/S2414314618000706","","","0.71073","MoKα","","0.1285","0.08","","","0.1576","0.189","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548840","12.8152","0.0003","6.29489","0.00013","18.9482","0.0004","90","","108.347","0.0012","90","","1450.85","0.06","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","α-<i>D</i>,<i>L</i>-Sorbose","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","IS4024","Taguchi, Hiroaki; Sogo, Kouta; Ishii, Tomohiko; Yoshihara, Akihide; Fukada, Kazuhiro","α-<small>D</small>,<small>L</small>-Sorbose","IUCrData","2018","3","1","x180114","","10.1107/S2414314618001141","","","1.54187","CuKα","","0.0541","0.0442","","","0.1128","0.1203","","","","","","1.08","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548841","15.1185","0.0014","11.0273","0.0009","24.141","0.002","90","","90","","90","","4024.7","0.6","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C24 H26 O4 -","- C24 H26 O4 -","- C192 H208 O32 -","8","1","IS5489","Kalaivanan, R.; Sughanya, V.; Sureshbabu, N.","9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","IUCrData","2018","3","1","x180105","","10.1107/S2414314618001050","","","0.71073","MoKα","","0.1112","0.0409","","","0.0943","0.14","","","","","","1.116","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548842","19.2666","0.001","9.7769","0.0004","20.3265","0.0012","90","","94.423","0.005","90","","3817.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1<i>H</i>-pyrazol-4-yl]acrylonitrile","","- C23 H15 N3 O S -","- C23 H15 N3 O S -","- C184 H120 N24 O8 S8 -","8","2","IS4023","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1<i>H</i>-pyrazol-4-yl]acrylonitrile","IUCrData","2018","3","1","x180171","","10.1107/S2414314618001712","","","0.71073","MoKα","","0.1263","0.057","","","0.1246","0.1669","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548843","4.489","0.0019","19.77","0.008","13.308","0.006","90","","93.608","0.006","90","","1178.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-6-nitro-2<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","HB4206","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","2-Benzyl-6-nitro-2<i>H</i>-indazole","IUCrData","2018","3","1","x180151","","10.1107/S2414314618001517","","","0.71073","MoKα","","0.0826","0.0594","","","0.1426","0.1498","","","","","","0.959","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548889","22.2914","0.0008","14.1339","0.0003","23.1869","0.0008","90","","115.732","0.002","90","","6580.9","0.4","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","4,9,14-Trichloro-1,3,5,6,8,10,11,13,15-nonaazatetracyclo\ [10.3.0.0^2,6^.0^7,11^]pentadeca-2,4,7,9,12,14-hexaene","2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine","","- C6 Cl3 N9 -","- C6 Cl3 N9 -","- C144 Cl72 N216 -","24","3","WM4072","Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter","2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine","IUCrData","2018","3","2","x180212","","10.1107/S2414314618002122","","","0.71069","MoKα","","0.0419","0.0331","","","0.0794","0.0861","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:56",""
"1548890","9.1066","0.0004","19.6406","0.0009","11.2901","0.0005","90","","94.343","0.004","90","","2013.54","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C96 H92 N12 O8 -","4","1","FF4023","Tamam, Asmaa H. A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hussain, Faiq H. S.","2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","IUCrData","2018","3","2","x180167","","10.1107/S2414314618001670","","","1.54184","CuKα","","0.0682","0.0505","","","0.137","0.149","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548891","9.1084","0.0008","10.8314","0.0009","17.2226","0.0014","90","","94.06","0.003","90","","1694.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(N<i>Z</i>)-<i>N</i>-[(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)methylidene]- <i>N</i>- oxidoanilinium","(<i>Z</i>)-1-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-<i>N</i>-phenylmethanimine <i>N</i>-oxide","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","HB4209","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Said, Awad I.; Hawaiz, Farouq E.; Elgarhy, Sahar M. I.","(<i>Z</i>)-1-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-<i>N</i>-phenylmethanimine <i>N</i>-oxide","IUCrData","2018","3","2","x180208","","10.1107/S2414314618002080","","","1.54178","CuKα","","0.0372","0.0346","","","0.0844","0.0864","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548892","5.1574","0.0006","17.413","0.002","5.1107","0.0007","90","","100.357","0.004","90","","451.49","0.1","293","2","293","2","","","","","","","","2","C 1 m 1","C -2y","8","","Tetraaluminium chromium","","- Al4 Cr -","- Al4 Cr -","- Al24 Cr6 -","6","1.5","WM4068","Fan, Changzeng; Liu, Cong","Crystal structure of ω-Al~4~Cr","IUCrData","2018","3","2","x180216","","10.1107/S241431461800216X","","","0.71073","MoKα","","0.0721","0.0466","","","0.0833","0.0903","","","","","","1.051","","","","has coordinates,has Fobs","206304","2020-10-21","18:00:00",""
"1548930","25.289","0.005","10.076","0.002","19.05","0.004","90","0.03","98.89","0.03","90","0.03","4795.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6'-(3-Bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]","6'-(3-bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'H-spiro [indeno[1,2-b]quinoxaline-11,5'-pyrrolo[1,2-c]thiazole]","","- C26 H19 Br N4 O2 S -","- C26 H19 Br N4 O2 S -","- C208 H152 Br8 N32 O16 S8 -","8","1","SJ4157","Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Krishnakumar, R. V.","6'-(3-Bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]","IUCrData","2018","3","2","x180238","","10.1107/S2414314618002389","","","0.71073","MoKα","","0.0523","0.0453","","","0.1151","0.1208","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:56",""
"1548931","7.6981","0.0002","7.6981","0.0002","7.6231","0.0002","90","","90","","120","","391.227","0.018","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Decaaluminium trinickel iron","","- Al10 Fe0.83 Ni3 -","- Al10 Fe0.834 Ni3 -","- Al20 Fe1.668 Ni6 -","2","0.0833333","WM4071","Wang, Sai; Liu, Cong; Fan, Changzeng","Al~10~Ni~3~Fe~0.83~, an Fe-depleted phase in the Al‒Ni‒Fe system","IUCrData","2018","3","2","x180237","","10.1107/S2414314618002377","","","1.54178","CuKα","","0.0292","0.0288","","","0.089","0.0897","","","","","","1.085","","","","has coordinates,has Fobs","206485","2020-10-21","18:00:00",""
"1548932","10.073","0.003","10.37","0.003","10.547","0.003","105.029","0.002","115.48","0.005","90.3532","0.0015","951.7","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","10-[1,1-Dichloro-4-(trimethylsilyl)but-1-en-3-yn-2-yl]-10<i>H</i>-phenothiazine","","- C19 H17 Cl2 N S Si -","- C19 H17 Cl2 N S Si -","- C38 H34 Cl4 N2 S2 Si2 -","2","1","FF4024","Umezono, Satoru; Okuno, Tsunehisa","10-[1,1-Dichloro-4-(trimethylsilyl)but-1-en-3-yn-2-yl]-10<i>H</i>-phenothiazine","IUCrData","2018","3","2","x180232","","10.1107/S2414314618002328","","","0.71075","MoKα","","0.0386","0.0299","","","0.0698","0.0745","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548972","30.7456","0.0018","5.0266","0.0003","12.0636","0.0007","90","","98.43","0.002","90","","1844.24","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-Methylphenyl)methanaminium bromide hemihydrate","","- C8 H13 Br N O0.5 -","- C8 H13 Br N O0.5 -","- C64 H104 Br8 N8 O4 -","8","1","HB4211","Aarthi, R.; Thiruvalluvar, A.; Ramachandra Raja, C.","(4-Methylphenyl)methanaminium bromide hemihydrate","IUCrData","2018","3","2","x180270","","10.1107/S2414314618002705","","","0.71073","MoKα","","0.0365","0.0282","","","0.0631","0.0672","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548973","4.7121","0.0009","18.752","0.004","13.856","0.003","90","","92.379","0.005","90","","1223.3","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-(1,2,2-triiodovinyl)benzoic acid","3-(1,2,2-Triiodoethenyl)benzoic acid","","- C9 H5 I3 O2 -","- C9 H5 I3 O2 -","- C36 H20 I12 O8 -","4","1","LH4031","Szell, Patrick M.J.; Gabidullin, Bulat; Bryce, David L.","3-(1,2,2-Triiodoethenyl)benzoic acid","IUCrData","2018","3","2","x180258","","10.1107/S2414314618002584","","","0.71073","MoKα","","0.1265","0.0404","","","0.0595","0.0778","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:56",""
"1548985","34.0146","0.0011","4.9522","0.0002","23.4539","0.0007","90","","111.578","0.001","90","","3673.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Pyridin-2-yl)methyl 6-bromo-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate","","- C22 H16 Br N3 O3 -","- C22 H16 Br N3 O3 -","- C176 H128 Br8 N24 O24 -","8","1","SJ4158","Filali Baba, Yassir; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","(Pyridin-2-yl)methyl 6-bromo-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate","IUCrData","2018","3","2","x180288","","10.1107/S2414314618002882","","","1.54178","CuKα","","0.0458","0.0366","","","0.0868","0.0922","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548986","8.1833","0.0002","15.4412","0.0004","15.525","0.0004","110.657","0.001","104.919","0.001","90.516","0.001","1762.9","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Bis(2-formylphenyl) benzene-1,2-dicarboxylate","","- C22 H14 O6 -","- C22 H14 O6 -","- C88 H56 O24 -","4","2","IS4025","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hawaiz, Farouq E.; Ayoob, Mzgin M.; Hussein, Awaz J.","Bis(2-formylphenyl) benzene-1,2-dicarboxylate","IUCrData","2018","3","2","x180251","","10.1107/S2414314618002511","","","1.54178","CuKα","","0.0872","0.0537","","","0.131","0.153","","","","","","1.028","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548987","10.1922","0.0005","17.347","0.001","7.0216","0.0004","90","","92.382","0.005","90","","1240.37","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-1,4-bis(prop-2-ynyl)pyrido[2,3-<i>b</i>]pyrazine-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C13 H8 Br N3 O2 -","- C13 H8 Br N3 O2 -","- C52 H32 Br4 N12 O8 -","4","1","HB4210","Sikine, Meriem; Kandri Rodi, Youssef; Ouzidan, Younes; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar","7-Bromo-1,4-bis(prop-2-ynyl)pyrido[2,3-<i>b</i>]pyrazine-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2018","3","2","x180266","","10.1107/S2414314618002663","","","1.54184","CuKα","","0.0441","0.0359","","","0.0935","0.1009","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548988","29.001","0.01","4.8412","0.0019","20.474","0.009","90","","113.16","0.02","90","","2642.9","1.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methyl-1-(nitromethyl)-4-(propan-2-yl)naphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","1","","Dakir, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","6-Methyl-1-(nitromethyl)-4-(propan-2-yl)naphthalene","IUCrData","2018","3","2","x180274","","10.1107/S2414314618002742","","","0.71073","MoKα","","0.0539","0.0486","","","0.1278","0.1315","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549006","8.9229","0.0005","18.8922","0.001","9.7147","0.0005","90","","104.879","0.001","90","","1582.73","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","HB4207","Samba, Mohamed; Minnih, Mohamed Said; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","A monoclinic modification of (4<i>Z</i>)-1-benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2018","3","2","x180326","","10.1107/S2414314618003267","","","0.71073","MoKα","","0.0476","0.043","","","0.115","0.1196","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549007","10.4838","0.0007","6.8965","0.0005","12.8538","0.0009","90","","90","","90","","929.35","0.11","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-amino-4,5-dimethylacetophenone","1-(2-Amino-4,5-dimethylphenyl)ethanone","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","0.5","SJ4164","Bosch, Eric; Jeffries, Laura","1-(2-Amino-4,5-dimethylphenyl)ethanone","IUCrData","2018","3","2","x180313","","10.1107/S2414314618003139","","","0.71073","MoKα","","0.0522","0.0399","","","0.1047","0.1162","","","","","","1.087","","","","has coordinates,has Fobs","206722","2020-10-21","18:00:00",""
"1549019","11.232","0.002","12.283","0.003","4.401","0.001","90","","90","","90","","607.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,2'-(Disulfanediyl)bis(pyridine <i>N</i>-oxide)–hydrogen peroxide (1/1)","","- C10 H10 N2 O4 S2 -","- C10 H10 N2 O4 S2 -","- C20 H20 N4 O8 S4 -","2","0.5","HB4208","Lynch, Will; Padgett, Clifford W.","2,2′-Disulfanediylbis(pyridine N-oxide)–hydrogen peroxide (1/1)","IUCrData","2018","3","3","x180320","","10.1107/S2414314618003206","","","0.71075","MoKα","","0.0256","0.024","","","0.0584","0.059","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549037","7.3502","0.0004","17.3508","0.001","17.9449","0.001","118.226","0.001","100.042","0.001","92.294","0.001","1965.63","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-methyl-quinoxalin-2(1<i>H</i>)-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C96 H84 N12 O6 -","6","3","SJ4167","Ramli, Youssef; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-3-methylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","3","x180390","","10.1107/S2414314618003905","","","0.71073","MoKα","","0.0584","0.0446","","","0.1178","0.1241","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549038","10.561","0.006","5.156","0.003","12.504","0.007","90","","90.606","0.009","90","","680.8","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-[(4-Fluorophenyl)(methyl)amino]-3,4,5,6-tetrahydroxyhexan-2-one","1-Deoxy-1-(<i>N</i>-methyl-4-fluorophenylamino)-<i>D</i>-<i>arabino</i>-hexulose","","- C13 H18 F N O5 -","- C13 H18 F N O5 -","- C26 H36 F2 N2 O10 -","2","1","LH4033","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","1-Deoxy-1-(<i>N</i>-methyl-4-fluorophenylamino)-<small>D</small>-<i>arabino</i>-hexulose","IUCrData","2018","3","3","x180369","","10.1107/S2414314618003693","","","0.71073","MoKα","","0.0934","0.0421","","","0.0864","0.1003","","","","","","0.949","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549065","16.7219","0.0003","6.90389","0.00013","23.0811","0.0004","90","","99.502","0.007","90","","2628.07","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","","- C14 H11 Br2 N O2 -","- C14 H11 Br2 N O2 -","- C112 H88 Br16 N8 O16 -","8","2","IS4026","Pal, Tarun Kumar; Hossain, Md Dulal; Sheikh, Md Chanmiya; Miyatake, Ryuta; Alam, Md Ashraful","2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","IUCrData","2018","3","3","x180388","","10.1107/S2414314618003887","","","1.54187","CuKα","","0.0322","0.0293","","","0.073","0.0743","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549066","29.5823","0.001","15.1971","0.0008","7.4303","0.0002","90","","90","","90","","3340.4","0.2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide","","- C15 H21 N3 O2 S -","- C15 H21 N3 O2 S -","- C120 H168 N24 O16 S8 -","8","1","SU5423","Chaurasia, Rahul; Bharti, Akhilesh; Butcher, Ray J.; Wikaira, Jan L.; Bharty, Manoj K.","4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide with an unknown solvent","IUCrData","2018","3","3","x180383","","10.1107/S2414314618003838","","","0.71073","MoKα","","0.081","0.0512","","","0.1222","0.1412","","","","","","1.005","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549074","15.116","0.0014","6.8728","0.0006","12.7492","0.0011","90","","90","","90","","1324.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","5-Bromo-1-(4-bromophenyl)isatin","5-Bromo-1-(4-bromophenyl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C14 H7 Br2 N O2 -","- C14 H7 Br2 N O2 -","- C56 H28 Br8 N4 O8 -","4","0.5","HB4216","El-Hiti, Gamal A.; Smith, Keith; Alamri, Mesfer; Morris, Ceri A.; Kille, Peter; Kariuki, Benson M.","5-Bromo-1-(4-bromophenyl)isatin","IUCrData","2018","3","3","x180426","","10.1107/S2414314618004261","","","0.71073","MoKα","","0.0775","0.0407","","","0.0789","0.0963","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549075","6.2938","0.0005","10.9254","0.0009","31.229","0.004","90","","90.221","0.008","90","","2147.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C96 H88 N16 O8 S4 -","4","1","HB4214","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone","IUCrData","2018","3","3","x180402","","10.1107/S2414314618004029","","","0.71073","MoKα","","0.1285","0.0607","","","0.1208","0.15","","","","","","1.033","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549076","61.5399","0.0018","11.8988","0.0004","8.2661","0.0003","90","","93.301","0.003","90","","6042.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Methyl-<i>N</i>'-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbonyl)-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C240 H216 N96 O24 -","12","1.5","HB4215","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-<i>N</i>'-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbonyl)-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","IUCrData","2018","3","3","x180424","","10.1107/S2414314618004248","","","0.71073","MoKα","","0.0778","0.0522","","","0.1437","0.1621","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549125","4.0205","0.0011","11.316","0.003","13.781","0.004","85.067","0.009","88.517","0.009","84.335","0.006","621.5","0.3","93","","93","","","","","","","","","4","P -1","-P 1","2","","5-[Phenyl(pyridin-4-yl)amino]penta-2,4-diyn-1-ol","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","1","XU4034","Umezono, Satoru; Okuno, Tsunehisa","5-[Phenyl(pyridin-4-yl)amino]penta-2,4-diyn-1-ol","IUCrData","2018","3","3","x180454","","10.1107/S2414314618004546","","","0.71075","MoKα","","0.0472","0.0376","","","0.097","0.1039","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549126","15.6203","0.0019","8.6349","0.0011","13.9758","0.0017","90","","108.948","0.002","90","","1782.9","0.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1,4-Bis(4-methoxyphenyl)but-3-yn-2-yl](cyano)methylamine","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Yousufuddin, Muhammed; Morales, Ruth; Cassis, Waleed; Brown, Gary W.; Singh, Ravi P.; Lovely, Carl J.","[1,4-Bis(4-methoxyphenyl)but-3-yn-2-yl](cyano)methylamine","IUCrData","2018","3","3","x180389","","10.1107/S2414314618003899","","","0.71073","MoKα","","0.0756","0.0492","","","0.111","0.1238","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:56",""
"1549127","10.5058","0.0004","12.8929","0.0004","14.0425","0.0004","80.187","0.002","73.218","0.001","89.188","0.002","1793.17","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-Aminoanilinium benzene-1,2-diaminium tris(4-methylbenzene-1-sulfonate)","","- C33 H40 N4 O9 S3 -","- C33 H40 N4 O9 S3 -","- C66 H80 N8 O18 S6 -","2","1","VM4034","Amirthakumar, C.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G.","2-Aminoanilinium benzene-1,2-diaminium tris(4-methylbenzene-1-sulfonate)","IUCrData","2018","3","3","x180437","","10.1107/S2414314618004376","","","0.71073","MoKα","","0.0851","0.0426","","","0.0952","0.1172","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549128","10.4422","0.0003","13.3065","0.0003","24.0683","0.0008","90","","90.181","0.003","90","","3344.25","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","","- C37 H28 Br Cl N8 S -","- C37 H28 Br Cl N8 S -","- C148 H112 Br4 Cl4 N32 S4 -","4","1","SJ4169","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","IUCrData","2018","3","3","x180443","","10.1107/S2414314618004431","","","1.54184","CuKα","","0.0575","0.0472","","","0.1268","0.1376","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549129","8.5806","0.0004","7.0202","0.0003","9.2257","0.0004","90","","97.551","0.001","90","","550.91","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[diaquadi-μ-formato-nickel(II)]","","- C2 H6 Ni O6 -","- C2 H6 Ni O6 -","- C8 H24 Ni4 O24 -","4","1","HB4217","Weil, Matthias","Redetermination of nickel(II) formate dihydrate","IUCrData","2018","3","3","x180428","","10.1107/S2414314618004285","","","0.71073","MoKα","","0.0348","0.0211","","","0.0447","0.0487","","","","","","1.04","","","","has coordinates,has Fobs","207100","2020-10-21","18:00:00",""
"1549130","12.1967","0.0009","3.7559","0.0002","14.4539","0.001","90","","102.143","0.003","90","","647.31","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Fluoro-5-nitroaniline","","- C6 H5 F N2 O2 -","- C6 H5 F N2 O2 -","- C24 H20 F4 N8 O8 -","4","1","HB4212","Moorthy, K.; NizamMohideen, M.; Vetrivel, S.; Vinoth, E.; Arun, A.","2-Fluoro-5-nitroaniline","IUCrData","2018","3","3","x180425","","10.1107/S241431461800425X","","","0.71073","MoKα","","0.0695","0.038","","","0.0897","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549131","10.3624","0.0002","13.5082","0.0003","24.0262","0.0006","90","","90.457","0.002","90","","3363.02","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","","- C37 H28 Br2 N8 S -","- C37 H28 Br2 N8 S -","- C148 H112 Br8 N32 S4 -","4","1","HB4219","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","IUCrData","2018","3","3","x180449","","10.1107/S2414314618004492","","","1.54184","CuKα","","0.0674","0.0524","","","0.1461","0.1621","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549173","10.3353","0.0009","14.0058","0.0012","5.954","0.0004","90","","97.32","0.003","90","","854.84","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-1,2,3-selenadiazole","","- C8 H5 Cl N2 Se -","- C8 H5 Cl N2 Se -","- C32 H20 Cl4 N8 Se4 -","4","1","BV4014","Ravichandran, K.; Ranjith, S.; Sankari, S.; Beemarao, M.; Ponnuswamy, M. N.","4-(4-Chlorophenyl)-1,2,3-selenadiazole","IUCrData","2018","3","3","x180462","","10.1107/S2414314618004625","","","0.71073","MoKα","","0.0702","0.04","","","0.0693","0.0785","","","","","","1.074","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549174","4.6976","0.0004","19.3656","0.0018","12.3116","0.0012","90","","95.831","0.003","90","","1114.21","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","TK4048","Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.","(<i>E</i>)-4-Methyl-2-(<i>N</i>-phenylcarboximidoyl)phenol","IUCrData","2018","3","3","x180464","","10.1107/S2414314618004649","","","0.71073","MoKα","","0.1205","0.0541","","","0.1238","0.169","","","","","","1.05","","","","has coordinates,has Fobs","207161","2020-10-21","18:00:00",""
"1549176","3.8342","0.0002","5.5701","0.0003","15.0346","0.0009","93.396","0.004","92.812","0.004","92.361","0.004","319.83","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","","- C6 H6 N4 O -","- C6 H6 N4 O -","- C12 H12 N8 O2 -","2","1","HB4222","El Hafi, Mohamed; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-Methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","IUCrData","2018","3","3","x180483","","10.1107/S2414314618004832","","","1.54178","CuKα","","0.0492","0.0417","","","0.1012","0.108","","","","","","1.091","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549177","8.556","0.0017","8.982","0.0018","22.13","0.004","90","","98.28","0.03","90","","1683","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine","","- C21 H14 N6 -","- C21 H14 N6 -","- C84 H56 N24 -","4","1","HB4213","Wang, Jianwei; Yuan, Caixia","4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine","IUCrData","2018","3","3","x180492","","10.1107/S2414314618004923","","","0.71","synchrotron","","0.057","0.0529","","","0.1575","0.1614","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549178","8.0249","0.0002","27.32","0.0008","10.3546","0.0003","90","","97.101","0.001","90","","2252.73","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)","","- C17 H41 B Co N O P2 -","- C17 H41 B Co N O P2 -","- C68 H164 B4 Co4 N4 O4 P8 -","4","1","RZ4021","Junge, Kathrin; Cingolani, Andrea; Spannenberg, Anke; Beller, Matthias","{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)","IUCrData","2018","3","3","x180471","","10.1107/S2414314618004716","","","0.71073","MoKα","","0.0352","0.0301","","","0.072","0.0746","","","","","","1.08","","","","has coordinates,has Fobs","207195","2020-10-21","18:00:00",""
"1549340","13.1081","0.0013","11.1491","0.0013","7.1798","0.0011","90","","90","","90","","1049.3","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole","","- C11 H6 F5 N O -","- C11 H6 F5 N O -","- C44 H24 F20 N4 O4 -","4","0.5","SJ4168","Zhao, Hui","3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole","IUCrData","2018","3","4","x180445","","10.1107/S2414314618004455","","","0.71073","MoKα","","0.1037","0.0786","","","0.2621","0.2924","","","","","","1.073","","","","has coordinates,has Fobs","207571","2020-10-21","18:00:00",""
"1549341","10.4026","0.0003","13.6115","0.0004","16.5769","0.0006","105.502","0.002","105.796","0.002","94.038","0.002","2150.3","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","9-(3,5-Dimethylbenzylidene)-8-(3,5-dimethylphenyl)-1,3,5,7-tetraphenyl-2,4,7,8-tetrahydro-4,7-methanoazulene acetonitrile disolvate","","- C56 H50 N2 -","- C56 H50 N2 -","- C112 H100 N4 -","2","1","SJ4173","Adas, Sonya K.; Peloquin, Andrew J.; Iacono, Scott T.; Balaich, Gary J.","9-(3,5-Dimethylbenzylidene)-8-(3,5-dimethylphenyl)-1,3,5,7-tetraphenyl-2,4,7,8-tetrahydro-4,7-methanoazulene acetonitrile disolvate","IUCrData","2018","3","4","x180553","","10.1107/S2414314618005539","","","0.71073","MoKα","","0.0956","0.0529","","","0.1149","0.1403","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549342","15.8299","0.0008","10.627","0.0004","9.2041","0.0003","90","","98.084","0.004","90","","1532.97","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","","- C16 H19 N5 O -","- C16 H19 N5 O -","- C64 H76 N20 O4 -","4","1","SJ4170","Abad, Nadeem; Ramli, Youssef; Sebbar, Nada Kheira; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","4","x180482","","10.1107/S2414314618004820","","","1.54184","CuKα","","0.0715","0.053","","","0.1423","0.1566","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549343","7.9315","0.0005","8.2047","0.0005","12.3474","0.0008","108.513","0.006","98.09","0.005","103.805","0.005","719.18","0.09","150","","150","","","","","","","","","2","P -1","-P 1","2","","1,2-Bis(3,5-dimethylphenyl)ethane","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","1","HB4226","Brieger, Lukas; Unkelbach, Christian; Strohmann, Carsten","1,2-Bis(3,5-dimethylphenyl)ethane","IUCrData","2018","3","4","x180636","","10.1107/S2414314618006363","","","0.71073","MoKα","","0.0777","0.0569","","","0.1463","0.1605","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549344","7.4526","0.0013","5.8441","0.001","16.278","0.003","90","","101.808","0.002","90","","694","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-di(4-bromophenyl)propane","1,3-Bis(4-bromophenyl)propane","","- C15 H14 Br2 -","- C15 H14 Br2 -","- C30 H28 Br4 -","2","1","BV4016","Peloquin, Andrew J.; Godman, Nicholas P.; Allison, Bruce D.; Balaich, Gary J.; Iacono, Scott T.","1,3-Bis(4-bromophenyl)propane","IUCrData","2018","3","4","x180563","","10.1107/S2414314618005631","","","0.71073","MoKα","","0.0246","0.0231","","","0.0544","0.0548","","","","","","1.376","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549345","7.2162","0.0015","8.0068","0.0014","11.65","0.003","80.123","0.017","84.57","0.018","88.084","0.015","660.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C30 H24 Cl2 N2 O4 -","2","1","LH5867","Zhong, Ling; Shi, Jianyou; Zhong, Lei; Wei, Xin; Xhang, Hongjia; Cheng, Liang; Bai, Lan","2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one","IUCrData","2018","3","4","x180587","","10.1107/S2414314618005874","","","0.71073","MoKα","","0.0653","0.0461","","","0.1042","0.1183","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549346","8.8546","0.0002","8.9841","0.0002","9.5523","0.0002","98.481","0.001","96.412","0.001","106.772","0.001","710","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(3<i>R</i>,4<i>Z</i>)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","HB4224","El Foujji, Laila; Sebhaoui, Jihad; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.","(3<i>R</i>,4<i>Z</i>)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2018","3","4","x180515","","10.1107/S2414314618005151","","","1.54178","CuKα","","0.0404","0.0369","","","0.0888","0.0914","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549347","9.6483","0.0002","10.606","0.0003","13.4332","0.0004","90","","104.034","0.001","90","","1333.59","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-1,1-diphenylbut-2-yne","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","BH4034","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","1-Methoxy-1,1-diphenylbut-2-yne","IUCrData","2018","3","4","x180415","","10.1107/S2414314618004157","","","0.71073","MoKα","","0.0451","0.0396","","","0.1056","0.1119","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549348","18.2763","0.0006","7.5909","0.0002","20.0571","0.0006","90","","90","","90","","2782.59","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C104 H120 N40 O16 S8 -","8","1","IS4027","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","IUCrData","2018","3","4","x180600","","10.1107/S2414314618006004","","","0.71073","MoKα","","0.086","0.0417","","","0.0919","0.1104","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549349","18.171","0.0005","4.9012","0.0001","16.9492","0.0005","90","","91.923","0.001","90","","1508.64","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","VM4035","Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate","IUCrData","2018","3","4","x180519","","10.1107/S2414314618005199","","","1.54178","CuKα","","0.0649","0.0464","","","0.1099","0.1208","","","","","","1.015","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549350","11.0729","0.0012","12.6284","0.0013","19.6141","0.0019","90","","90","","90","","2742.7","0.5","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate","","- C27 H37 Cl N2 O4 -","- C27 H37 Cl N2 O4 -","- C108 H148 Cl4 N8 O16 -","4","0.5","HB4223","Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S.","1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate","IUCrData","2018","3","4","x180516","","10.1107/S2414314618005163","","","0.71073","MoKα","","0.0844","0.051","","","0.129","0.1497","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549351","4.8082","0.0018","8.26","0.003","14.413","0.006","84.072","0.007","81.473","0.005","85.14","0.005","561.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","ZQ4028","Abad, Nadeem; Sebhaoui, Jihad; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate","IUCrData","2018","3","4","x180596","","10.1107/S2414314618005965","","","0.71073","MoKα","","0.1185","0.0613","","","0.1842","0.2126","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:24",""
"1549352","12.1395","0.0006","13.8587","0.0007","17.366","0.0007","85.994","0.001","80.863","0.001","66.136","0.001","2637.9","0.2","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒triflate (1.2/1.8)","","- C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 -","- C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 -","- C95.6 H84 Au2 Co4 F25.2 Fe4 N12 O10.8 P2.4 S3.6 -","2","1","SJ4176","Vanicek, Stefan; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒trifluoromethanesulfonate (1.2/1.8)","IUCrData","2018","3","4","x180623","","10.1107/S2414314618006235","","","0.71073","MoKα","","0.0361","0.0319","","","0.0777","0.0798","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","207583","2020-10-21","18:00:00",""
"1549353","18.1419","0.0016","19.9967","0.0017","20.3048","0.0017","79.631","0.002","78.398","0.002","63.844","0.002","6441.7","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate","","- C21.2 H22.4 Cl6.4 Co3 -","- C21.2 H22.4 Cl6.4 Co3 -","- C212 H224 Cl64 Co30 -","10","5","PJ4006","Shaw, Michael J.; Xu, Nan; Caveny, Ian E.; Abucayon, Erwin G.; Ramuglia, Anthony R.; Richter-Addo, George B.","Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate","IUCrData","2018","3","4","x180552","","10.1107/S2414314618005527","","","0.71073","MoKα","","0.0678","0.0429","","","0.0828","0.0912","","","","","","0.99","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1549354","12.7853","0.0003","7.0167","0.0002","15.4215","0.0004","90","","95.718","0.001","90","","1376.59","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-[(Oxiran-2-yl)methyl]-3-phenylquinoxalin-2(1<i>H</i>)-one","1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","HB4230","Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","IUCrData","2018","3","4","x180610","","10.1107/S2414314618006107","","","1.54178","CuKα","","0.0894","0.0623","","","0.1312","0.147","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549355","9.4301","0.0005","9.4561","0.0005","24.8572","0.0012","90","","90","","90","","2216.6","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran","","- C28 H20 Br2 O -","- C28 H20 Br2 O -","- C112 H80 Br8 O4 -","4","1","SJ4159","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran","IUCrData","2018","3","4","x180416","","10.1107/S2414314618004169","","","0.71073","MoKα","","0.0267","0.0221","","","0.0458","0.0473","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549356","9.6505","0.0007","19.378","0.0013","15.1026","0.001","90","","97.849","0.001","90","","2797.8","0.3","100","0.2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(AsPh4)2ZrCl6","Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate","","- C56 H52 As2 Cl6 N4 Zr -","- C56 H52 As2 Cl6 N4 Zr -","- C112 H104 As4 Cl12 N8 Zr2 -","2","0.5","WM4070","Borjas, Rosendo; Mariappan Balasekaran, Samundeeswari; Poineau, Frederic","Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate","IUCrData","2018","3","4","x180528","","10.1107/S241431461800528X","","","0.71073","MoKα","","0.0639","0.0369","","","0.0715","0.082","","","","","","1.004","","","","has coordinates,has Fobs","207587","2020-10-21","18:00:00",""
"1549358","11.0702","0.0005","26.0585","0.0013","7.7302","0.0003","90","","90","","90","","2229.95","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(4-methylbenzylammonium) tetrabromidozincate","","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","- C64 H96 Br16 N8 Zn4 -","4","1","WM4078","Aarthi, Ramkumar; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(4-methylbenzylammonium) tetrabromidozincate","IUCrData","2018","3","5","x180648","","10.1107/S241431461800648X","","","0.71073","MoKα","","0.0807","0.074","","","0.1526","0.1557","","","","","","1.356","","","","has coordinates,has Fobs","207603","2020-10-21","18:00:00",""
"1549359","6.0999","0.0006","6.0999","0.0006","11.0509","0.0014","90","","90","","90","","411.19","0.08","100","2","100","","","","","","","","","3","I 4/m c m","-I 4 2c","140","Potassium Tetrafluorobromate","Potassium tetrafluoridobromate(III)","","- Br F4 K -","- Br F4 K -","- Br4 F16 K4 -","4","0.125","WM4077","Ivlev, Sergei I.; Kraus, Florian","Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data","IUCrData","2018","3","5","x180646","","10.1107/S2414314618006466","","","0.71073","MoKα","","0.0171","0.0153","","","0.0314","0.0322","","","","","","1.244","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:40",""
"1549381","12.8698","0.0006","8.1365","0.0003","13.0309","0.0006","90","","107.275","0.005","90","","1302.98","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5'-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indolin]-2'-one","","- C15 H11 N3 O4 -","- C15 H11 N3 O4 -","- C60 H44 N12 O16 -","4","1","ZP4015","AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.","5'-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indolin]-2'-one","IUCrData","2018","3","5","x180664","","10.1107/S2414314618006648","","","0.71073","MoKα","","0.0507","0.0423","","","0.1104","0.1178","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549393","8.6901","0.0005","10.1547","0.0005","12.6282","0.0007","71.352","0.004","84.442","0.004","81.817","0.004","1043.56","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1,1-Bis(diphenylphosphoryl)hydrazine","","- C24 H22 N2 O2 P2 -","- C24 H22 N2 O2 P2 -","- C48 H44 N4 O4 P4 -","2","1","RZ4023","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","1,1-Bis(diphenylphosphoryl)hydrazine","IUCrData","2018","3","5","x180679","","10.1107/S241431461800679X","","","0.71073","MoKα","","0.0359","0.0291","","","0.0786","0.0807","","","","","","1.053","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549394","28.061","0.0008","4.765","0.0001","15.3667","0.0004","90","","91.503","0.001","90","","2053.98","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate","","- C22 H32 N2 O3 -","- C22 H32 N2 O3 -","- C88 H128 N8 O12 -","4","1","SJ4177","Abad, Nadeem; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate","IUCrData","2018","3","5","x180680","","10.1107/S2414314618006806","","","1.54178","CuKα","","0.0579","0.0419","","","0.0938","0.1023","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549412","6.9048","0.0009","7.0555","0.0009","11.8449","0.0015","105.071","0.002","93.073","0.002","109.955","0.002","517.26","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]","","- C18 H16 Cu Na2 O16 -","- C18 H16 Cu Na2 O16 -","- C18 H16 Cu Na2 O16 -","1","0.5","LH4034","Yang, Annabeth P.; LaDuca, Robert L.","Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]: a novel 4,5,6-connected trinodal net","IUCrData","2018","3","5","x180676","","10.1107/S2414314618006764","","","0.71073","MoKα","","0.0493","0.0395","","","0.0929","0.099","","","","","","1.073","","","","has coordinates,has Fobs","207789","2020-10-21","18:00:00",""
"1549413","8.16","0.003","14.876","0.005","12.549","0.005","90","","93.192","0.009","90","","1520.9","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diisopropylammonium hydrogen phthalate","Diisopropylammonium hydrogen phthalate","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C56 H84 N4 O16 -","4","1","LH5874","Seye, Dame; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Geiger, David K.","Diisopropylammonium hydrogen phthalate","IUCrData","2018","3","5","x180704","","10.1107/S2414314618007046","","","0.71073","MoKa","","0.0702","0.0572","","","0.1492","0.164","","","","","","1.069","","","","has coordinates,has Fobs","207790","2020-10-21","18:00:00",""
"1549439","23.493","0.0015","11.9942","0.0008","21.8489","0.0014","90","","104.259","0.0019","90","","5966.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Cyclohex-1-enyl)cyclohexylamido]bis(dicyclohexylamido)[methyltris(pentafluorophenyl)borato]zirconium(IV) hexane monosolvate","","- C61 H81 B F15 N3 Zr -","- C61 H81 B F15 N3 Zr -","- C244 H324 B4 F60 N12 Zr4 -","4","1","WM4076","Frerichs, Nils; Adler, Christian; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of a zwitterionic azaallyl zirconiumamide complex bearing a Zr^+^-μ-CH~3~—B^{-^} moiety and one equivalent of <i>n</i>-hexane as a solvent","IUCrData","2018","3","5","x180644","","10.1107/S2414314618006442","","","0.71073","MoKα","","0.0466","0.0313","","","0.0765","0.0842","","","","","","1.037","","","","has coordinates,has Fobs","207906","2020-10-21","18:00:00",""
"1549440","9.8525","0.0004","10.6407","0.0006","19.272","0.0009","98.867","0.004","95.255","0.004","105.512","0.004","1904.76","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","4,5-Diferrocenyl-1,2-dithiol-3-one","","- C23 H18 Fe2 O S2 -","- C23 H18 Fe2 O S2 -","- C92 H72 Fe8 O4 S8 -","4","2","WM4074","Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","4,5-Diferrocenyl-1,2-dithiol-3-one","IUCrData","2018","3","5","x180685","","10.1107/S2414314618006855","","","0.71073","MoKα","","0.0761","0.0464","","","0.0949","0.1099","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","207907","2020-10-21","18:00:00",""
"1549494","7.286","0.002","17.379","0.005","12.95","0.003","90","","102.769","0.013","90","","1599.2","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium (acetonitrile)trichloridopalladate(II)","","- C10 H23 Cl3 N2 Pd -","- C10 H23 Cl3 N2 Pd -","- C40 H92 Cl12 N8 Pd4 -","4","1","BT4069","Oberley, Alan J.; Kadel, Lava R.; Senaratne, Nilmini K.; Eichhorn, David M.","Tetraethylammonium (acetonitrile)trichloridopalladate(II)","IUCrData","2018","3","5","x180750","","10.1107/S2414314618007502","","","0.71073","MoKα","","0.0442","0.033","","","0.0852","0.0922","","","","","","1.063","","","","has coordinates,has Fobs","208078","2020-10-21","18:00:00",""
"1549518","6.7724","0.0013","7.1774","0.0014","26.793","0.005","90","","93.184","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-[1-(3-Phenylcyclopenta-2,4-dien-1-ylidene)ethyl]pyrrolidine","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","SJ4179","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","(<i>E</i>)-1-[1-(3-Phenylcyclopenta-2,4-dien-1-ylidene)ethyl]pyrrolidine","IUCrData","2018","3","6","x180764","","10.1107/S2414314618007642","","","0.71073","MoKα","","0.0806","0.0535","","","0.1158","0.1324","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549520","7.5867","0.0007","10.268","0.0007","11.4684","0.0008","95.592","0.004","102.147","0.004","109.987","0.003","806.72","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","SJ4180","Koh, Dongsoo; Lee, Ji Hye","4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine","IUCrData","2018","3","6","x180796","","10.1107/S2414314618007964","","","0.71073","MoKα","","0.0839","0.0457","","","0.0962","0.1118","","","","","","1.019","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549521","16.7564","0.0013","7.9403","0.0006","17.9303","0.0013","90","","103.777","0.003","90","","2317","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-methoxybenzylammonium) tetrabromidocadmate(II)","","- C16 H24 Br4 Cd N2 O2 -","- C16 H24 Br4 Cd N2 O2 -","- C64 H96 Br16 Cd4 N8 O8 -","4","1","SJ4181","Umarani, Parthasarathy; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(4-methoxybenzylammonium) tetrabromidocadmate(II)","IUCrData","2018","3","6","x180795","","10.1107/S2414314618007952","","","0.71073","MoKα","","0.0867","0.0524","","","0.1082","0.1234","","","","","","1.059","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:40",""
"1549528","6.8573","0.0012","7.4073","0.0014","15.55","0.003","87.843","0.006","78.892","0.005","72.347","0.005","738.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(3<i>E</i>)-3-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enylidene]-2,3-dihydro-4<i>H</i>-chromen-4-one","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","HB4235","Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G.","(3<i>E</i>)-3-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enylidene]-2,3-dihydro-4<i>H</i>-chromen-4-one","IUCrData","2018","3","6","x180829","","10.1107/S2414314618008295","","","0.71073","MoKα","","0.1265","0.0798","","","0.1987","0.2513","","","","","","1.122","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549529","11.0118","0.001","11.7295","0.0011","11.7453","0.0011","66.009","0.004","67.12","0.004","66.057","0.004","1220.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris[(pyridin-1-ium-2-yl)methyl]amine trichloride‒methanol‒water (1/1.829/0.342)","","- C19.83 H29 Cl3 N4 O2.17 -","- C19.829 H29 Cl3 N4 O2.171 -","- C39.658 H58 Cl6 N8 O4.342 -","2","1","LH4035","Van Erdewyk, Martha L.; Oshin, Kayode D.","Crystal structure of tris[(pyridin-1-ium-2-yl)methyl]amine trichloride‒methanol‒water (1/1.829/0.342)","IUCrData","2018","3","6","x180826","","10.1107/S241431461800826X","","","1.54178","CuKα","","0.07","0.0643","","","0.1783","0.1857","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","208223","2020-10-21","18:00:00",""
"1549562","5.8131","0.0003","7.6682","0.0004","26.7168","0.0015","90.221","0.002","91.168","0.002","91.44","0.003","1190.29","0.11","173","2","173","","","","","","","","","6","P -1","-P 1","2","betaine sodium iodide trhydrate","<i>catena</i>-Poly[[[bis[2-(trimethylazaniumyl)acetato-κ<i>O</i>]sodium]-di-μ-aqua-[diaquasodium]-di-μ-aqua] diiodide]","","- C5 H17 I N Na O5 -","- C5 H17 I N Na O5 -","- C20 H68 I4 N4 Na4 O20 -","4","2","BV4018","Nazarenko, Alexander Y.","Betaine (trimethylammonioacetate) binary compound with sodium iodide","IUCrData","2018","3","6","x180864","","10.1107/S2414314618008647","","","0.71073","MoKα","","0.0425","0.0288","","","0.047","0.0499","","","","","","1.148","","","","has coordinates,has Fobs","282761","2023-04-20","06:46:01",""
"1549563","37.0489","0.0016","13.3154","0.0007","6.917","0.0004","90","","93.771","0.004","90","","3404.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C152 H128 N32 O24 -","8","2","HB4237","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one","IUCrData","2018","3","6","x180841","","10.1107/S2414314618008416","","","0.71073","MoKα","","0.1747","0.0756","","","0.2124","0.2667","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549576","7.4539","0.0005","7.8553","0.0005","17.2286","0.001","90","","90","","90","","1008.78","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","BT4070","Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama","Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione","IUCrData","2018","3","6","x180852","","10.1107/S2414314618008520","","","0.71073","MoKα","","0.052","0.0419","","","0.0907","0.0969","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549584","9.2366","0.0011","10.2045","0.0012","16.1922","0.0018","90","","92.144","0.002","90","","1525.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^2,6^]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","HB4241","Moussaif, Ahmed; Ramli, Youssef; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^2,6^]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate","IUCrData","2018","3","6","x180892","","10.1107/S2414314618008921","","","0.71073","MoKα","","0.0539","0.0439","","","0.1204","0.1255","","","","","","1.103","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549585","7.7306","0.0005","16.8048","0.0011","9.3113","0.0006","90","","102.001","0.002","90","","1183.2","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","RZ4025","Missioui, Mohcine; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate","IUCrData","2018","3","6","x180882","","10.1107/S2414314618008829","","","1.54178","CuKα","","0.0334","0.0308","","","0.0802","0.0823","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549586","13.1301","0.0003","11.9592","0.0002","10.3738","0.0003","90","","112.041","0.003","90","","1509.9","0.07","100","","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloronaphthalen-1-yl tosylate","4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate","","- C17 H13 Cl O3 S -","- C17 H13 Cl O3 S -","- C68 H52 Cl4 O12 S4 -","4","1","SJ4183","Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate","IUCrData","2018","3","6","x180889","","10.1107/S2414314618008891","","","0.71073","MoKα","","0.0326","0.0262","","","0.0703","0.0716","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549587","12.227","0.0003","5.7229","0.0001","15.9353","0.0005","90","","109.869","0.003","90","","1048.68","0.05","100","","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Naphthalene-2,6-diyl bis(4-methylbenzenesulfonate)","","- C24 H20 O6 S2 -","- C24 H20 O6 S2 -","- C48 H40 O12 S4 -","2","0.5","HB4242","Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","Naphthalene-2,6-diyl bis(4-methylbenzenesulfonate)","IUCrData","2018","3","6","x180890","","10.1107/S2414314618008908","","","0.71073","MoKα","","0.0333","0.0284","","","0.0805","0.0823","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549604","9.10074","0.00014","17.7897","0.0003","24.9408","0.0003","90","","97.7826","0.0014","90","","4000.71","0.1","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dicarbonyl{[(<i>E</i>,<i>E</i>)-(2,3,4,5-η)-6-methoxy-6-oxo-2,4-hexadienyl]triphenylphosphonium}(triphenylphosphane-κ<i>P</i>)iron(1+) hexafluoridophosphate","","- C45 H39 F6 Fe O4 P3 -","- C45 H39 F6 Fe O4 P3 -","- C180 H156 F24 Fe4 O16 P12 -","4","1","HB4240","Ma, Yuzhi; Lindeman, Sergey; Donaldson, William A.","Dicarbonyl{[(<i>E</i>,<i>E</i>)-(2,3,4,5-η)-6-methoxy-6-oxo-2,4-hexadienyl]triphenylphosphonium}(triphenylphosphane-κ<i>P</i>)iron(1+) hexafluoridophosphate","IUCrData","2018","3","6","x180902","","10.1107/S2414314618009021","","","0.71073","MoKα","","0.0453","0.0335","","","0.0913","0.0945","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","208653","2020-10-21","18:00:00",""
"1549605","11.737","0.0013","8.8719","0.0008","14.3722","0.0016","90","","106.616","0.003","90","","1434.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diisopropylammonium benzenesulfonate","Diisopropylammonium bis(propan-2-yl)azanium","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C48 H84 N4 O12 S4 -","4","1","HB4233","Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Geiger, David K.","Diisopropylammonium benzenesulfonate","IUCrData","2018","3","6","x180876","","10.1107/S2414314618008763","","","0.71073","MoKa","","0.0689","0.0501","","","0.1359","0.1518","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:24",""
"1549606","15.634","0.003","17.716","0.004","21.661","0.004","90","","90","","90","","5999","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0)","","- C28 H30 Mo N2 O4 P2 -","- C28 H30 Mo N2 O4 P2 -","- C224 H240 Mo8 N16 O32 P16 -","8","1","RZ4024","Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent","IUCrData","2018","3","6","x180846","","10.1107/S2414314618008465","","","0.71073","MoKα","","0.0304","0.0216","","","0.0488","0.0503","","","","","","0.917","","","","has coordinates,has Fobs","208655","2020-10-21","18:00:00",""
"1549607","15.0553","0.001","15.7338","0.0012","6.9701","0.0005","90","","99.54","0.004","90","","1628.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C19 H13 F3 N4 -","- C19 H13 F3 N4 -","- C76 H52 F12 N16 -","4","1","HB4239","El Hafi, Mohamed; Boulhaoua, Mohammed; Lahmidi, Sanae; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","IUCrData","2018","3","6","x180875","","10.1107/S2414314618008751","","","1.54178","CuKα","","0.0813","0.0596","","","0.1332","0.1471","","","","","","1.025","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549608","8.834","0.0003","18.6849","0.0006","7.6927","0.0003","90","","91.478","0.001","90","","1269.35","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate monohydrate","Ethyl 3-methyl-1-oxo-4<i>H</i>-1λ^4^,4-benzothiazine-2-carboxylate monohydrate","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C48 H60 N4 O16 S4 -","4","1","SJ4184","Baryala, Yamna; El Bakri, Youness; Anouar, El Hassane; Zerzouf, Abdelfettahb; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate monohydrate","IUCrData","2018","3","6","x180887","","10.1107/S2414314618008878","","","1.54178","CuKα","","0.0333","0.0314","","","0.0764","0.0778","","","","","","1.085","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549628","14.2754","0.0009","6.5831","0.0004","21.5365","0.0013","90","","90","","90","","2023.9","0.2","173","2","173.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","Sodium rubidium disaccharinate dihydrate","Sodium rubidium bis(3-oxo-3<i>H</i>-1,2-benzothiazol-2-ide 1,1-dioxide) tetrahydrate","","- C14 H16 N2 Na O10 Rb S2 -","- C14 H16 N2 Na O10 Rb S2 -","- C56 H64 N8 Na4 O40 Rb4 S8 -","4","0.5","BH4037","Nazarenko, Alexander Y.","Sodium rubidium disaccharinate tetrahydrate","IUCrData","2018","3","6","x180867","","10.1107/S2414314618008672","","","0.71073","MoKα","","0.0389","0.0274","","","0.0628","0.0673","","","","","","1.052","","","","has coordinates,has Fobs","208719","2020-10-21","18:00:00",""
"1549664","14.898","0.002","14.878","0.002","8.4007","0.0013","90","","96.78","0.002","90","","1849","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","","- C21 H24 N2 O S -","- C21 H24 N2 O S -","- C84 H96 N8 O4 S4 -","4","1","SJ4186","Akrad, Rachida; Guerrab, Walid; Lazrak, Fatima; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef","4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","IUCrData","2018","3","7","x180934","","10.1107/S2414314618009343","","","0.71073","MoKα","","0.0502","0.041","","","0.1098","0.1139","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549665","5.9642","0.0006","17.7004","0.0017","11.3963","0.0011","90","","100.695","0.001","90","","1182.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(pyridin-2-yl)-3<i>H</i>-1,5-benzodiazepine","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","VM4036","El Ghayati, Lhoussaine; Ramli, Youssef; Moussaif, Ahmed; Koubachi, Jamal; Taha, Mohamed Labd; Essassi, El Mokhtar; Mague, Joel T.","2-Methyl-4-(pyridin-2-yl)-3<i>H</i>-1,5-benzodiazepine","IUCrData","2018","3","7","x180953","","10.1107/S2414314618009537","","","0.71073","MoKα","","0.0616","0.0425","","","0.1027","0.1084","","","","","","0.973","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549666","5.7029","0.0002","4.0346","0.0001","28.9081","0.001","90","","90.751","0.003","90","","665.09","0.04","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate","","- C17 H12 O4 -","- C17 H12 O4 -","- C34 H24 O8 -","2","1","BH4038","Djandé, Abdoulaye; Abou, Akoun; Kini, Félix; Kambo, Konan René; Giorgi, Michel","2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate","IUCrData","2018","3","7","x180927","","10.1107/S2414314618009276","","","1.54184","CuKα","","0.0312","0.0297","","","0.0783","0.0794","","","","","","1.122","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549667","9.8377","0.0011","7.07","0.0008","24.268","0.003","90","","100.12","0.001","90","","1661.6","0.3","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[(μ~5~-<i>cis</i>-cyclohex-4-ene-1,2-dicarboxylato)(μ~3~-<i>cis</i>-cyclohex-4-ene-1,2-dicarboxylato)dicadmium(II)]","","- C16 H16 Cd2 O8 -","- C16 H16 Cd2 O8 -","- C64 H64 Cd8 O32 -","4","1","LH4036","LaDuca, Andrew R.; LaDuca, Robert L.","Poly[(μ5-cis-cyclohex-4-ene-1,2-dicarboxylato)(μ3-cis-cyclohex-4-ene-1,2-dicarboxylato)dicadmium(II)]","IUCrData","2018","3","7","x180924","","10.1107/S2414314618009240","","","0.71073","MoKα","","0.0469","0.0367","","","0.0849","0.0914","","","","","","1.074","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:40",""
"1549674","11.5219","0.0006","14.2321","0.0007","14.7033","0.0007","72.201","0.002","73.469","0.002","73.647","0.002","2150.18","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one","","- C25 H20 N2 O5 -","- C25 H20 N2 O5 -","- C100 H80 N8 O20 -","4","2","HB4244","Mahfoud, Asmae; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one","IUCrData","2018","3","7","x180962","","10.1107/S2414314618009628","","","0.71073","MoKα","","0.067","0.0439","","","0.1057","0.1215","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549675","23.5234","0.001","10.5928","0.0004","23.4895","0.0013","90","","90","","90","","5853.1","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole","","- C17 H13 N5 O -","- C17 H13 N5 O -","- C272 H208 N80 O16 -","16","4","HB4243","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole","IUCrData","2018","3","7","x180966","","10.1107/S2414314618009665","","","0.71073","MoKα","","0.0946","0.052","","","0.1193","0.145","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549702","7.3167","0.0002","15.5894","0.0004","15.5627","0.0003","90","","101.82","0.002","90","","1737.49","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate","5,5-Diphenyl-2-sulfanylideneimidazolidin-4-one dimethyl sulfoxide monosolvate","","- C17 H18 N2 O2 S2 -","- C17 H18 N2 O2 S2 -","- C68 H72 N8 O8 S8 -","4","1","HB4245","Aziz, Hamid; Saeed, Aamer; Simpson, Jim","5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate","IUCrData","2018","3","7","x181010","","10.1107/S2414314618010106","","","1.54184","CuKα","","0.0435","0.0359","","","0.0872","0.0932","","","","","","1.065","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549703","11.4283","0.0018","9.2294","0.0015","12.3632","0.0019","90","","96.89","0.002","90","","1294.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepin-2(5<i>H</i>)-one","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","HB4246","Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T.","4-Phenyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepin-2(5<i>H</i>)-one","IUCrData","2018","3","7","x181011","","10.1107/S2414314618010118","","","0.71073","MoKα","","0.0886","0.0539","","","0.1417","0.1522","","","","","","0.931","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:25",""
"1549714","9.265","0.0002","10.3523","0.0002","36.0698","0.0008","90","","90","","90","","3459.6","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H15 N O2 S -","- C22 H15 N O2 S -","- C176 H120 N8 O16 S8 -","8","1","SJ4187","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2018","3","7","x181019","","10.1107/S2414314618010192","","","0.71073","MoKα","","0.0799","0.0463","","","0.0907","0.1046","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549720","12.2836","0.0004","14.5343","0.0005","7.8596","0.0003","90","","90","","90","","1403.2","0.09","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","VM4037","Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef","2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate","IUCrData","2018","3","7","x181046","","10.1107/S2414314618010465","","","1.54178","CuKα","","0.0361","0.0346","","","0.0905","0.0929","","","","","","1.08","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549721","4.6852","0.0001","17.5786","0.0005","18.8573","0.0005","90","","90","","90","","1553.07","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","SU4166","Goyal, Navneet; Do, Camilla; Donahue, James P.; Mague, Joel T.; Foroozesh, Maryam","Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate","IUCrData","2018","3","7","x180993","","10.1107/S2414314618009938","","","1.54178","CuKα","","0.0392","0.0352","","","0.0848","0.0888","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549779","8.3287","0.0007","13.8956","0.0009","20.3124","0.0015","90","","90.635","0.008","90","","2350.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate","","- C25 H24 N4 O3 S -","- C25 H24 N4 O3 S -","- C100 H96 N16 O12 S4 -","4","1","HB4250","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate","IUCrData","2018","3","8","x181106","","10.1107/S2414314618011069","","","0.71073","MoKα","","0.1577","0.0629","","","0.1362","0.1822","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549780","4.9045","0.0003","11.7945","0.0005","5.8231","0.0002","90","","90","","90","","336.84","0.03","295","1","295","1","","","","","","","","4","P b c m","-P 2c 2b","57","Ammonium metavanadate","Hydroxy(dioxido)vanadium ammoniate","","- H4 N O3 V -","- H4 N O3 V -","- H16 N4 O12 V4 -","4","0.5","WM4083","Pérez-Benítez, Aarón; Bernès, Sylvain","Redetermination of ammonium metavanadate","IUCrData","2018","3","8","x181080","","10.1107/S2414314618010805","","","0.56083","AgKα","","0.019","0.0144","","","0.0403","0.042","","","","","","1.13","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:41",""
"1549781","19.7403","0.001","9.3294","0.0003","15.0595","0.0007","90","","90","","90","","2773.4","0.2","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","8-Methyl-16-oxapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9(14),10,12,18-heptaen-15-one","","- C19 H14 O2 -","- C19 H14 O2 -","- C152 H112 O16 -","8","1","LH4037","Devassia, Tomson; Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","10-Methyl-9,11-annulated dibenzobarrelene","IUCrData","2018","3","8","x181102","","10.1107/S2414314618011021","","","0.71073","MoKα","","0.0656","0.0457","","","0.1168","0.1318","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549793","11.6462","0.0008","6.3754","0.0004","14.7003","0.0009","90","","92.711","0.007","90","","1090.26","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sodium 1-(4-chlorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate","","- C10 H7 Cl N3 Na O2 -","- C10 H7 Cl N3 Na O2 -","- C40 H28 Cl4 N12 Na4 O8 -","4","1","HB4252","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","Sodium 1-(4-chlorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate","IUCrData","2018","3","8","x181127","","10.1107/S2414314618011276","","","0.71073","MoKα","","0.0708","0.0445","","","0.0991","0.1152","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549794","9.6306","0.0007","10.813","0.0008","17.0381","0.0014","91.826","0.005","95.619","0.004","90.734","0.004","1764.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis(triphenylphosphine)iminium tetrafluoridoborate chloroform monosolvate","Bis(triphenyl-λ^5^-phosphanylidene)azanium tetrafluoridoborate chloroform monosolvate","","- C37 H31 B Cl3 F4 N P2 -","- C37 H31 B Cl3 F4 N P2 -","- C74 H62 B2 Cl6 F8 N2 P4 -","2","1","SJ4188","Manandhar, Rachana; Rath, Nigam P.; Jones, Myron W.","Bis(triphenylphosphine)iminium tetrafluoroborate chloroform monosolvate","IUCrData","2018","3","8","x181108","","10.1107/S2414314618011082","","","0.71073","MoKα","","0.1034","0.0532","","","0.1093","0.1303","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:25",""
"1549795","15.631","0.012","11.614","0.008","16.976","0.011","90","","90","","90","","3082","4","150","","149.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-2,3,3-trimethylindol-1-ium iodide","","- C15 H22 I N -","- C15 H22 I N -","- C120 H176 I8 N8 -","8","1","HB4247","da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís","1-Butyl-2,3,3-trimethylindol-1-ium iodide","IUCrData","2018","3","8","x181130","","10.1107/S2414314618011306","","","0.71073","MoKα","","0.0273","0.019","","","0.0435","0.0472","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549803","13.2958","0.0013","5.1981","0.0004","18.8162","0.0015","90","","109.212","0.009","90","","1228.02","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-(4-methylphenyl)-4<i>H</i>-chromen-4-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","BH4039","Padgett, Clifford W.; Lynch, Will E.; Sheriff, Kirkland; Dean, Raven; Zingales, Sarah","3-Hydroxy-2-(4-methylphenyl)-4<i>H</i>-chromen-4-one","IUCrData","2018","3","8","x181138","","10.1107/S2414314618011380","","","0.71073","MoKα","","0.094","0.0536","","","0.1389","0.1703","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549804","9.9013","0.0009","9.9013","0.0009","28.981","0.002","90","","90","","120","","2460.5","0.4","223","2","223","2","","","","","","","","5","P 65","P 65","170","","2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride","","- C18 H18 Cl N3 O -","- C18 H18 Cl N3 O -","- C108 H108 Cl6 N18 O6 -","6","1","LH4038","Lee, Ji Hye; Koh, Dongsoo","2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride","IUCrData","2018","3","8","x181152","","10.1107/S2414314618011525","","","0.71073","MoKα","","0.0556","0.0395","","","0.0769","0.0828","","","","","","1.103","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549819","7.3968","0.0008","10.6475","0.0009","12.7769","0.0013","106.577","0.009","100.809","0.009","108.208","0.009","872.83","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide monohydrate","","- C17 H20 N6 O2 -","- C17 H20 N6 O2 -","- C34 H40 N12 O4 -","2","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide monohydrate","IUCrData","2018","3","8","x181162","","10.1107/S2414314618011628","","","0.71073","MoKα","","0.0852","0.0572","","","0.1331","0.1551","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549869","7.9093","0.0002","13.3712","0.0004","25.3669","0.0007","90","","90","","90","","2682.72","0.13","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate–methanol–water (1/1/1)","","- C25 H47 N O7 -","- C25 H47 N O7 -","- C100 H188 N4 O28 -","4","1","HB4254","Eitel, Michael; Schollmeyer, Dieter; Gross, Harald; Koch, Pierre","(2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate–methanol–water (1/1/1)","IUCrData","2018","3","8","x181194","","10.1107/S241431461801194X","","","0.71073","MoKα","","0.069","0.0487","","","0.0887","0.0984","","","","","","1.07","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549870","15.7782","0.0015","7.4076","0.0007","28.567","0.003","90","","95.7271","0.0019","90","","3322.2","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrabromidocobaltate(II)","","- C9 H14 Br4 Co N4 -","- C9 H14 Br4 Co N4 -","- C72 H112 Br32 Co8 N32 -","8","1","IS4029","Peppel, Tim; Spannenberg, Anke","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrabromidocobaltate(II)","IUCrData","2018","3","8","x181212","","10.1107/S2414314618012129","","","0.71073","MoKα","","0.033","0.0239","","","0.0457","0.0481","","","","","","1.049","","","","has coordinates,has Fobs","210293","2020-10-21","18:00:00",""
"1549871","7.4005","0.0008","10.4272","0.0011","10.5704","0.0011","86.076","0.002","72.382","0.002","81.325","0.002","768.3","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one","","- C18 H13 Cl2 N O2 -","- C18 H13 Cl2 N O2 -","- C36 H26 Cl4 N2 O4 -","2","1","VM4038","Grinev, Vyacheslav S.; Osipov, Alexander K.; Yegorova, Alevtina Yu.","(<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one","IUCrData","2018","3","8","x181224","","10.1107/S2414314618012245","","","0.71073","MoKα","","0.0398","0.036","","","0.099","0.1023","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549872","7.2618","0.0004","8.9419","0.0006","11.0001","0.0007","85.545","0.005","86.177","0.005","75.248","0.005","687.84","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,2'-Bipyridinium oxalate monohydrate","2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate","","- C13 H13 N2 O7 -","- C13 H13 N2 O7 -","- C26 H26 N4 O14 -","2","1","BT4073","Dziuk, Błażej; Jezuita, Anna","2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate","IUCrData","2018","3","8","x181219","","10.1107/S2414314618012191","","","0.71073","MoKα","","0.0434","0.0322","","","0.0857","0.0889","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549898","5.6271","0.0004","21.1764","0.0014","8.2787","0.0005","90","","105.86","0.002","90","","948.95","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine","","- C22 H36 N2 -","- C22 H36 N2 -","- C44 H72 N4 -","2","0.5","BV4021","Grace, P. Selvarathy; Nirmalram, Jeyaraman Selvaraj; Nayagam, B. Ravindran Durai; Schollmeyer, Dieter","1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine","IUCrData","2018","3","9","x181237","","10.1107/S2414314618012373","","","0.71073","MoKα","","0.059","0.0448","","","0.1084","0.118","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549899","5.859","0.005","7.479","0.006","16.329","0.014","93.818","0.012","91.29","0.03","94.252","0.01","711.7","1","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C30 H28 N8 O6 -","2","2","TK4050","Wang, Zhaodong; Ni, Haitao","Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate","IUCrData","2018","3","9","x181230","","10.1107/S2414314618012300","","","0.71073","MoKα","","0.0705","0.0501","","","0.099","0.106","","","","","","1.118","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549950","9.362","0.0004","11.6073","0.0005","15.0732","0.0007","90","","98.859","0.002","90","","1618.43","0.12","296","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","BV4020","Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G.","Crystal structure of (3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181273","","10.1107/S2414314618012737","","","0.71073","MoKα","","0.0626","0.0444","","","0.1196","0.1333","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549951","12.0255","0.0002","8.9303","0.0002","15.8822","0.0003","90","","95.813","0.001","90","","1696.84","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine-2-thione ethanol monosolvate","","- C17 H24 N2 O S -","- C17 H24 N2 O S -","- C68 H96 N8 O4 S4 -","4","1","HB4260","Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; El Hafi, Mohamed; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T.","4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine-2-thione ethanol monosolvate","IUCrData","2018","3","9","x181276","","10.1107/S2414314618012762","","","1.54178","CuKα","","0.0549","0.0439","","","0.1126","0.1251","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:25",""
"1549952","7.9937","0.0005","9.3819","0.0006","12.2131","0.0008","72.552","0.003","86.895","0.003","67.288","0.003","804.06","0.09","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4H-chromen-4-one","","- C21 H16 O4 -","- C21 H16 O4 -","- C42 H32 O8 -","2","1","SJ4189","Sung, Jiha","6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181277","","10.1107/S2414314618012774","","","0.71073","MoKα","","0.1448","0.0555","","","0.1032","0.1329","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549966","18.6131","0.0013","18.2243","0.0013","15.8867","0.0011","90","","110.757","0.001","90","","5039.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 6'-cyano-7'-phenyl-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole-6'-carboxylate","","- C30 H24 N4 O2 S -","- C30 H24 N4 O2 S -","- C240 H192 N32 O16 S8 -","8","1","FF4027","Muthuselvi, C.; Athimoolam, S.; Srinivasan, N.; Ravikumar, B.; Pandiarajan, S.; Krishnakumar, R. V.","Ethyl 6'-cyano-7'-phenyl-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole-6'-carboxylate","IUCrData","2018","3","9","x181286","","10.1107/S2414314618012865","","","0.71073","MoKα","","0.0808","0.0643","","","0.1705","0.1859","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549978","22.3701","0.0006","6.8836","0.0002","15.7987","0.0004","90","","106.058","0.0013","90","","2337.88","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C15 H9 F O3 -","- C15 H9 F O3 -","- C120 H72 F8 O24 -","8","2","FF4028","Koh, Dongsoo","2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181332","","10.1107/S2414314618013329","","","0.71073","MoKα","","0.0952","0.0485","","","0.1104","0.1341","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549979","16.805","0.0016","8.3008","0.0008","15.7976","0.0013","90","","100.259","0.009","90","","2168.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diglycinium squarate","Bis(carboxymethanaminium) 3,4-dioxocyclobut-1-ene-1,2-diolate","","- C8 H12 N2 O8 -","- C8 H12 N2 O8 -","- C64 H96 N16 O64 -","8","1","WM5461","Seidel, Rüdiger W.","Revision of the crystal structure of `bis(glycine) squaric acid'","IUCrData","2018","3","9","x181324","","10.1107/S241431461801324X","","","0.71073","MoKα","","0.0479","0.0426","","","0.109","0.1131","","","","","","1.041","","","","has coordinates,has Fobs","211118","2020-10-21","18:00:00",""
"1549980","13.0062","0.0009","5.9631","0.0004","18.3801","0.0014","90","","104.019","0.007","90","","1383.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,9-Dimethoxybenzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","HB4248","Hemanathan, K.; Raja, R.; Murugesan, K. Sakthi","8,9-Dimethoxybenzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene","IUCrData","2018","3","9","x181257","","10.1107/S2414314618012579","","","0.71073","MoKα","","0.0683","0.0469","","","0.1085","0.1192","","","","","","1.067","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549981","8.0233","0.0015","16.877","0.003","17.013","0.003","90","","101.021","0.002","90","","2261.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Aminophenyl)-3-[3,4-bis(pyridin-2-ylmethoxy)phenyl]acrylonitrile","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","1","BT4071","Liu, Gang; Liu, Qingsong; Zhang, Huihui; Yu, Jianhua","2-(4-Aminophenyl)-3-[3,4-bis(pyridin-2-ylmethoxy)phenyl]acrylonitrile","IUCrData","2018","3","9","x181329","","10.1107/S2414314618013299","","","0.71073","MoKα","","0.062","0.0405","","","0.1062","0.1156","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549982","9.069","0.005","13.319","0.007","11.851","0.007","90","","112.161","0.007","90","","1325.7","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)pent-4-enoate","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C52 H64 N16 O8 -","4","1","PK4019","Lahmidi, Sanae; El Hafi, Mohamed; Moussaif, Ahmed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)pent-4-enoate","IUCrData","2018","3","9","x181280","","10.1107/S2414314618012804","","","0.71073","MoKα","","0.047","0.0386","","","0.1109","0.1152","","","","","","1.134","","","","has coordinates,has Fobs","211121","2020-10-21","18:00:00",""
"1549983","8.462","0.0014","16.243","0.003","11.477","0.002","90","","93.091","0.002","90","","1575.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-7-(2-morpholin-4-yl-ethoxy)-chromen-2-one","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","HB4255","Wang, Junjun; Zhu, Yin; Wang, Haiyan; Yang, Mingdi","3-Acetyl-7-(2-morpholin-4-yl-ethoxy)-chromen-2-one","IUCrData","2018","3","9","x181327","","10.1107/S2414314618013275","","","0.71073","MoKα","","0.0507","0.0433","","","0.1168","0.1232","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549987","7.841","0.004","8.203","0.004","11.08","0.006","79.131","0.007","85.616","0.006","74.077","0.006","672.8","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(Pentyloxy)dibenzo[<i>b</i>,<i>d</i>]furan","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","BX4012","Goyal, Navneet; Donahue, James P.; Do, Camilla; Perry, Timothy; Bongay-Williams, Kyla; Foroozesh, Maryam","A dibenzofuran derivative: 2-(pentyloxy)dibenzo[<i>b</i>,<i>d</i>]furan","IUCrData","2018","3","9","x181306","","10.1107/S2414314618013068","","","0.71073","MoKα","","0.0763","0.0524","","","0.1278","0.152","","","","","","1.113","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549988","10.1759","0.0015","23.521","0.004","7.4038","0.0011","90","","95.674","0.002","90","","1763.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(4-Nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]acrylonitrile","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","BT4072","Rao, Qingpeng; Wang, Zepeng; Yang, Mingdi; Wu, Zhichao","(<i>Z</i>)-2-(4-Nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]acrylonitrile","IUCrData","2018","3","9","x181328","","10.1107/S2414314618013287","","","0.71073","MoKα","","0.054","0.0426","","","0.1067","0.1132","","","","","","1.014","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549989","10.1251","0.0005","11.1335","0.0006","15.9006","0.0008","102.745","0.003","101.1","0.003","101.52","0.003","1659.74","0.15","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","3-[2-(3-Nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C66 H66 N18 O24 -","6","3","HB4256","Marten, Jan; Seichter, Wilhelm; Weber, Edwin","3-[2-(3-Nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione","IUCrData","2018","3","9","x181344","","10.1107/S2414314618013445","","","0.71073","MoKα","","0.0633","0.0408","","","0.1098","0.1265","","","","","","1.003","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1550027","9.9957","0.0006","14.5325","0.0009","15.8353","0.001","81.671","0.005","81.344","0.005","80.469","0.005","2225.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate","","- C21.5 H20.5 Br N6.5 O0.5 S -","- C21.5 H20.5 Br N6.5 O0.5 S -","- C86 H82 Br4 N26 O2 S4 -","4","2","SJ4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate","IUCrData","2018","3","10","x181378","","10.1107/S2414314618013780","","","0.71073","MoKα","","0.1383","0.0558","","","0.1121","0.1447","","","","","","1.009","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550028","9.0292","0.0007","9.864","0.001","10.8754","0.0009","111.021","0.009","105.103","0.008","96.945","0.007","847.86","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C17 H17 N5 O S -","- C17 H17 N5 O S -","- C34 H34 N10 O2 S2 -","2","1","SJ4191","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-1-(4-methylphenyl)-N′-[1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide","IUCrData","2018","3","10","x181379","","10.1107/S2414314618013792","","","0.71073","MoKα","","0.1076","0.063","","","0.1441","0.1736","","","","","","1.038","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550078","8.6962","0.0012","8.7349","0.0012","14.559","0.002","106.468","0.002","92.949","0.002","111.771","0.002","969.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(3,4,6-trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)benzoate","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C48 H46 N6 O4 -","2","1","HB4267","Jouha, Jabrane; Loubidi, Mohamed; El Hafi, Mohamed; Tber, Zahira; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 4-(3,4,6-trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)benzoate","IUCrData","2018","3","10","x181449","","10.1107/S2414314618014499","","","0.71073","MoKα","","0.0553","0.046","","","0.1304","0.1368","","","","","","1.115","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550079","10.0164","0.0005","22.7494","0.0003","15.0848","0.0008","90","","138.151","0.01","90","","2293.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Samarium(III) DAPSC nitrate tetrahydrate","Tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate","","- C11 H23 N10 O15 Sm -","- C11 H23 N10 O15 Sm -","- C44 H92 N40 O60 Sm4 -","4","1","SJ4193","Gioia, Michael; Crundwell, Guy; Westcott, Barry L.","Tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate","IUCrData","2018","3","10","x181454","","10.1107/S2414314618014542","","","0.71073","MoKα","","0.0738","0.0493","","","0.1148","0.1271","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:21",""
"1550080","4.9417","0.0002","7.6157","0.0003","23.4472","0.0009","94.49","0.002","92.997","0.002","98.136","0.002","869.06","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C36 H38 N2 O14 -","2","1","HB4265","Bouzian, Younos; Hlimi, Fouzia; kheira Sebbar, Nada; El Hafi, Mohamed; Hni, Brahim; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate","IUCrData","2018","3","10","x181438","","10.1107/S2414314618014384","","","1.54178","CuKα","","0.0434","0.0374","","","0.0937","0.0994","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550081","16.3784","0.0011","7.3134","0.0003","7.1566","0.0004","90","","91.205","0.002","90","","857.04","0.08","180","1","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(pyrrolidinium) hexachloridostannate","","- C8 H20 Cl6 N2 Sn -","- C8 H20 Cl6 N2 Sn -","- C16 H40 Cl12 N4 Sn2 -","2","0.25","SU5454","Gotoh, Kazuma; Ishida, Hiroyuki","Bis(pyrrolidinium) hexachloridostannate: a redetermination","IUCrData","2018","3","10","x181397","","10.1107/S2414314618013974","","","0.71075","MoKα","","0.0241","0.0236","","","0.0563","0.0566","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:41",""
"1550082","8.5308","0.0011","8.5308","0.0011","31.893","0.004","90","","90","","90","","2321","0.5","200","2","200","2","","","","","","","","5","P 43","P 4cw","78","","Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","","- C19 H28 Cl N3 O5 -","- C19 H28 Cl N3 O5 -","- C76 H112 Cl4 N12 O20 -","4","1","SJ4194","Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef","Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","IUCrData","2018","3","10","x181470","","10.1107/S2414314618014700","","","0.71073","MoKα","","0.0761","0.0646","","","0.1727","0.182","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:21",""
"1550129","3.8938","0.0002","5.8223","0.0003","25.8645","0.0016","90","","92.044","0.005","90","","586","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide","","- C12 H8 Br2 N2 O -","- C12 H8 Br2 N2 O -","- C24 H16 Br4 N4 O2 -","2","0.5","BH4042","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","(<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide","IUCrData","2018","3","10","x181486","","10.1107/S2414314618014864","","","1.54184","CuKα","","0.0516","0.0494","","","0.1352","0.1367","","","","","","1","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550130","9.7335","0.0007","10.6473","0.0007","24.7554","0.0017","87.443","0.002","84.272","0.002","62.978","0.002","2274.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","2-Amino-5-chlorobenzophenone","2-Benzoyl-4-chloroaniline","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","4","XU4036","Javed, Saleem; Faizi, Md. Serajul Haque; Nazia, Siddiqui; Iskenderov, Turganbay","2-Amino-5-chlorobenzophenone","IUCrData","2018","3","10","x181444","","10.1107/S241431461801444X","","","0.71073","MoKα","","0.2229","0.0799","","","0.1813","0.2252","","","","","","1.055","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550169","7.3899","0.0005","22.447","0.002","28.512","0.002","90","","90","","90","","4729.6","0.6","123","2","123","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Bis(tetramethylguanidinium) hexachloridotellurate(IV)","","- C10 H28 Cl6 N6 Te -","- C10 H28 Cl6 N6 Te -","- C80 H224 Cl48 N48 Te8 -","8","","XI4001","Giltzau, Niels Ole; Köckerling, Martin","Bis(tetramethylguanidinium) hexachloridotellurate(IV)","IUCrData","2018","3","10","x181488","","10.1107/S2414314618014888","","","0.71073","MoKα","","0.0142","0.0128","","","0.0333","0.0342","","","","","","1.256","","","","has coordinates,has Fobs","211748","2020-10-21","18:00:00",""
"1550200","19.6249","0.0016","7.2198","0.0006","14.9117","0.0012","90","","108.592","0.001","90","","2002.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-(Aminothioxomethyl)-1-methyl-pyridinium","1-Methyl-4-thiocarbamoylpyridin-1-ium iodide","","- C7 H9 I N2 S -","- C7 H9 I N2 S -","- C56 H72 I8 N16 S8 -","8","1","BH4040","Shotonwa, Ibukun O.; Boeré, René T.","1-Methyl-4-thiocarbamoylpyridin-1-ium iodide","IUCrData","2018","3","11","x181491","","10.1107/S2414314618014918","","","0.71073","MoKα","","0.0161","0.0138","","","0.0309","0.0317","","","","","","1.068","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550216","10.0535","0.0012","12.3705","0.0014","19.236","0.002","90","","104.476","0.003","90","","2316.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~2~-Chlorido-chlorido(μ~2~-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II)lithium","","- C19 H37 Cl2 Co Li N2 O3 -","- C19 H37 Cl2 Co Li N2 O3 -","- C76 H148 Cl8 Co4 Li4 N8 O12 -","4","1","WM4089","Vinocour, Felipe A.; Soto-Navarro, Andrea; Pineda, Leslie W.","μ2-Chlorido-chlorido(μ2-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κO)cobalt(II)lithium","IUCrData","2018","3","11","x181577","","10.1107/S2414314618015778","","","0.71073","MoKα","","0.0616","0.0515","","","0.1347","0.1403","","","","","","1.233","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:42",""
"1550217","10.1497","0.0012","5.1276","0.0004","11.6896","0.0016","90","","99.541","0.01","90","","599.95","0.12","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-[7-Hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","BT4076","Detert, Heiner; Schollmeyer, Dieter","The <i>rel-R</i>,<i>R</i>-enantiomer of 7-[7-hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol","IUCrData","2018","3","11","x181550","","10.1107/S241431461801550X","","","0.71073","MoKα","","0.0642","0.0433","","","0.0867","0.097","","","","","","1.046","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550273","7.485","0.005","9.173","0.007","16.995","0.013","90","","90","","90","","1166.9","1.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C16 H14 O","1,1-Diphenylbut-3-yn-1-ol","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","HB4269","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","Homopropargyl alcohol 1,1-diphenylbut-3-yn-1-ol","IUCrData","2018","3","11","x181619","","10.1107/S241431461801619X","","","0.71073","MoKα","","0.0274","0.027","","","0.0747","0.075","","","","","","1.062","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550274","12.1143","0.0004","9.8134","0.0001","14.2602","0.0002","90","","95.116","0.001","90","","1688.53","0.06","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-3-methylisochroman-1-one–2-(carboxymethyl)benzoic acid (1/1)","","- C19 H18 O7 -","- C19 H18 O7 -","- C76 H72 O28 -","4","1","","Abou, Akoun; Akonan, Ludovic; Koblavi-Mansilla, Frédérica; N'gouan, Aka Joseph; Kambo, Konan René","3-Hydroxy-3-methylisochroman-1-one–2-(carboxymethyl)benzoic acid (1/1)","IUCrData","2018","3","11","x181653","","10.1107/S241431461801653X","","","0.71073","MoKα","","0.0533","0.0437","","","0.1093","0.1158","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550275","9.424","0.0004","16.0262","0.0007","20.8913","0.001","90","","99.042","0.001","90","","3116","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol","","- C20 H16 O S -","- C20 H16 O S -","- C160 H128 O8 S8 -","8","2","RZ4026","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol","IUCrData","2018","3","11","x181616","","10.1107/S2414314618016164","","","0.71073","MoKα","","0.1733","0.0741","","","0.1056","0.1367","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:22",""
"1550276","5.1371","0.0002","9.5237","0.0004","12.9884","0.0006","106.521","0.002","96.067","0.002","95.618","0.002","600.32","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dithiobis(formamidinium) bis(hydrogen sulfate)","","- C2 H10 N4 O8 S4 -","- C2 H10 N4 O8 S4 -","- C4 H20 N8 O16 S8 -","2","1","BT4077","Zouihri, Hafid; El Korchi, Khadija; Yamni, Khalid; Tijani, Najib","Dithiobis(formamidinium) bis(hydrogen sulfate)","IUCrData","2018","3","11","x181540","","10.1107/S2414314618015407","","","0.71073","MoKα","","0.0394","0.0357","","","0.0984","0.1","","","","","","1.112","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550277","7.9772","0.0003","22.8528","0.0008","7.3075","0.0003","90","","92.791","0.001","90","","1330.59","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C17 H16 O2","5,5-Diphenylpent-2-yne-1,5-diol","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","HB4268","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","Homopropargyl alcohol 5,5-diphenylpent-2-yne-1,5-diol","IUCrData","2018","3","11","x181618","","10.1107/S2414314618016188","","","0.71073","MoKα","","0.0531","0.0446","","","0.0997","0.104","","","","","","1.027","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550278","6.5921","0.0014","8.3935","0.0018","13.185","0.003","92.023","0.003","98.309","0.003","99.741","0.003","710.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one","","- C6 H7 N5 O -","- C6 H7 N5 O -","- C24 H28 N20 O4 -","4","2","HB4263","Lahmidi, Sanae; El Hafi, Mohamed; kheira Sebbar, Nada; Abad, Nadeem; Essassi, El Mokhtar; Mague, Joel T.","2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one","IUCrData","2018","3","11","x181500","","10.1107/S2414314618015006","","","0.71073","MoKα","","0.0573","0.0454","","","0.1298","0.1377","","","","","","1.132","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550294","10.865","0.0008","14.3936","0.0009","9.8008","0.0008","90","","111.68","0.009","90","","1424.3","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Spiro[cyclopentane-1,11'-hexacyclo[7.6.0.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane]-7',15'-dione","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","BX4013","Kotha, Sambasivarao; Gunta, Rama; Cheekatla, Subba Rao; Mhatre, Darshan S.","Spiro[cyclopentane-1,11'-hexacyclo[7.6.0.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane]-7',15'-dione","IUCrData","2018","3","11","x181590","","10.1107/S2414314618015900","","x-ray","0.71073","MoKα","","0.0719","0.0523","","","0.1225","0.1398","","","","","","1.045","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550295","3.868","0.0002","3.868","0.0002","15.0321","0.0015","90","","90","","90","","224.9","0.03","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dicalcium oxidocuprate(II) dichloride","","- Ca2 Cl2 Cu O2 -","- Ca2 Cl2 Cu O2 -","- Ca4 Cl4 Cu2 O4 -","2","0.0625","WM4087","Baptiste, Benoît; Azuma, Masaki; Yu, Runze; Giura, Paola; d'Astuto, Matteo","Ca2CuO2Cl2, a redetermination from single-crystal X-ray diffraction data","IUCrData","2018","3","11","x181645","","10.1107/S2414314618016450","","","0.71073","MoKα","","0.0175","0.0175","","","0.0472","0.0472","","","","","","1.242","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:43",""
"1550311","8.1914","0.0014","9.5151","0.0016","17.781","0.003","90","","94.88","0.002","90","","1380.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3-Hydroxypropyl)-3-phenylquinoxalin-2(1<i>H</i>)-one","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","LH4040","Abad, Nadeem; Ramli, Youssef; Lahmidi, Sanae; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Hydroxypropyl)-3-phenylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","11","x181633","","10.1107/S2414314618016334","","","0.71073","MoKα","","0.0537","0.0455","","","0.1296","0.1352","","","","","","1.099","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550312","7.6672","0.0003","9.9098","0.0004","11.4101","0.0004","82.548","0.001","78.176","0.002","76.607","0.002","822.39","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3,4,6-Trimethyl-1-phenyl-5-(thiophen-3-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","","- C19 H17 N3 S -","- C19 H17 N3 S -","- C38 H34 N6 S2 -","2","1","SJ4195","Loubidi, Mohamed; Jouha, Jabrane; Tber, Zahira; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","3,4,6-Trimethyl-1-phenyl-5-(thiophen-3-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","IUCrData","2018","3","11","x181593","","10.1107/S2414314618015936","","","1.54178","CuKα","","0.047","0.0426","","","0.1126","0.1171","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:22",""
"1550313","6.4405","0.0009","7.266","0.0014","28.081","0.004","90","","90","","90","","1314.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)isonicotinohydrazide monohydrate","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C52 H48 Cl4 N12 O8 -","4","1","LH4041","Stondus, Jigmat; Anthal, Sumati; Jayashree, A.; Narayana, B.; Sarojini, B. K.; Kant, Rajni","Polymorph of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)isonicotinohydrazide monohydrate","IUCrData","2018","3","11","x181634","","10.1107/S2414314618016346","","","0.71073","MoKα","","0.1153","0.0666","","","0.1232","0.1475","","","","","","1.016","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550314","5.4774","0.0006","11.1557","0.0012","14.561","0.0017","90","","90","","90","","889.74","0.17","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-hydroxyphenyl)propionate","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","RZ4027","Abdou, Moaz M.; Matziari, Magdalini; O'Neill, Paul M.; Amigues, Eric; Zhou, Ruixue; Wang, Ruiyao; Ali, Basem F.","Methyl 3-(4-hydroxyphenyl)propionate","IUCrData","2018","3","11","x181662","","10.1107/S2414314618016620","","","0.71073","MoKα","","0.0637","0.0401","","","0.0815","0.0905","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550336","4.8011","0.0002","6.5522","0.0003","7.5052","0.0003","93.618","0.002","107.044","0.002","95.658","0.002","223.575","0.017","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C9 H11 N O3 -","1","1","FY2132","Baillargeon, Pierre; Rahem, Tarik; Amigo, Carl; Fortin, Daniel; Dory, Yves L.","Polar crystal of vanillylformamide through replacement of the alkene by an isosteric formamide group","IUCrData","2018","3","12","x181630","","10.1107/S2414314618016309","","","1.54178","CuKα","","0.0548","0.0515","","","0.1447","0.154","","","","","","1.115","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550356","8.3019","0.0017","16.628","0.003","6.7622","0.0014","90","","90","","90","","933.5","0.3","173","","173","","","","","","","","","4","P b c m","-P 2c 2b","57","","Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","0.5","VM4039","Furuya, Tetsundo; Yagi, Shiomi; Yamazaki, Shu; Haraguchi, Tomoyuki; Akitsu, Takashiro; Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.","Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate","IUCrData","2018","3","12","x181728","","10.1107/S2414314618017285","","","0.71073","MoKα","","0.0667","0.0647","","","0.2054","0.2077","","","","","","1.119","","","","has coordinates,has Fobs","212553","2020-10-21","18:00:00",""
"1550362","20.216","0.004","21.275","0.002","20.821","0.0017","90","","115.414","0.013","90","","8088","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyaninato]zinc(II) bis[(5,10,15,20-tetraphenylporphyrinato)zinc(II)] chloroform tetrasolvate","","- C188 H140 Cl12 N16 O8 Zn3 -","- C188 H140 Cl12 N16 O8 Zn3 -","- C376 H280 Cl24 N32 O16 Zn6 -","2","0.5","WM4090","Makino, Masatomo; Matsubayashi, Kazuhiko; Kodama-Oda, Yukiko; Imawaka, Naoto; Mizuno, Nobuhiro; Kumasaka, Takashi; Yoshino, Katsumi","Construction of a supramolecule comprising [2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyaninato]zinc(II) and (5,10,15,20-tetraphenylporphyrinato)zinc(II)","IUCrData","2018","3","12","x181741","","10.1107/S2414314618017418","","","0.7","synchrotron","","0.0409","0.0384","","","0.0932","0.0945","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","212613","2020-10-21","18:00:00",""
"1550363","12.996","0.003","9.2813","0.0019","8.665","0.002","90","","105.503","0.007","90","","1007.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylanilinium propanedioate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","BT4079","Suresh, S.; Pandi, P.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 2-carboxyacetate","IUCrData","2018","3","12","x181714","","10.1107/S2414314618017145","","","0.71073","MoKα","","0.0662","0.0406","","","0.0949","0.1117","","","","","","1.053","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550364","7.8233","0.0005","7.4705","0.0005","20.1932","0.0012","90","","94.866","0.006","90","","1175.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide","","- C11 H8 Cl2 N2 O3 -","- C11 H8 Cl2 N2 O3 -","- C44 H32 Cl8 N8 O12 -","4","1","","Stondus, Jigmat; Anthal, Sumati; Karanth, S.; Narayana, B.; Sarojini, B. K.; Kant, Rajni","2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide","IUCrData","2018","3","12","x181740","","10.1107/S2414314618017406","","","0.71073","MoKα","","0.0541","0.0385","","","0.0918","0.1018","","","","","","1.032","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550365","7.5676","0.0002","10.7802","0.0002","11.4092","0.0003","90","","90","","90","","930.77","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","HB4272","Dioukhane, Khadim; Aouine, Younas; Faraj, Hassane; Alami, Anouar; Essassi, El Mokhtar; Zouihri, Hafid","4-Methyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2018","3","12","x181718","","10.1107/S2414314618017182","","","0.71073","MoKα","","0.0297","0.0283","","","0.0837","0.0858","","","","","","1.026","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550374","8.711","0.0003","24.171","0.001","11.0653","0.0004","90","","102.598","0.001","90","","2273.75","0.15","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(benzothiazolium) dodeca-μ-chlorido-hexachlorido-<i>octahedro</i>-hexaniobium(12 <i>Nb—Nb</i>) tetrahydrofuran disolvate","","- C22 H28 Cl18 N2 Nb6 O2 S2 -","- C22 H28 Cl18 N2 Nb6 O2 S2 -","- C44 H56 Cl36 N4 Nb12 O4 S4 -","2","0.5","ZQ4033","Sperlich, Eric; Köckerling, Martin","(C~7~H~6~NS)~2~[Nb~6~Cl~18~]·2C~4~H~8~O: first niobium cluster with an <i>N</i>,<i>S</i>-heterocyclic cation","IUCrData","2018","3","12","x181760","","10.1107/S2414314618017601","","","0.71073","MoKα","","0.0288","0.023","","","0.0453","0.0472","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","212659","2020-10-21","18:00:00",""
"1550385","10.1891","0.0005","7.4627","0.0004","11.4884","0.0006","90","","111.635","0.001","90","","812.02","0.07","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methyl-1<i>H</i>-imidazol-3-ium methanesulfonate","","- C5 H10 N2 O3 S -","- C5 H10 N2 O3 S -","- C20 H40 N8 O12 S4 -","4","1","BV4023","Hmissa, Taha; Mathivathanan, Logesh; Thompson, Alexander P.; Mirjafari, Arsalan","1-Methyl-1<i>H</i>-imidazol-3-ium methanesulfonate","IUCrData","2018","3","12","x181781","","10.1107/S2414314618017819","","","0.71073","MoKα","","0.0338","0.0306","","","0.0821","0.0848","","","","","","1.075","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550386","7.818","0.003","17.017","0.006","8.189","0.003","90","","117.459","0.004","90","","966.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl 2,4-dihydroxy-6-methylbenzoate","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","ZL4028","Xiong, Huiping; Mao, Shilong; Lv, Qianzhou; Zhang, Ning","Crystal structure of the ethyl 2,4-dihydroxy-6-methylbenzoate from <i>Illicium difengpi</i> K.I.B et K.I.M.","IUCrData","2018","3","12","x181776","","10.1107/S2414314618017765","","","0.71073","MoKα","","0.0818","0.0571","","","0.1552","0.1715","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550387","8.4464","0.0004","10.4163","0.0005","13.488","0.0006","71.55","0.004","76.477","0.004","71.75","0.004","1057.04","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine","","- C24 H22 N2 O P2 -","- C24 H22 N2 O P2 -","- C48 H44 N4 O2 P4 -","2","1","RZ4028","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine","IUCrData","2018","3","12","x181784","","10.1107/S2414314618017844","","","0.71073","MoKα","","0.0467","0.0312","","","0.0718","0.0746","","","","","","0.891","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550458","11.7085","0.0003","16.9319","0.0003","15.2399","0.0004","90","","105.324","0.0019","90","","2913.85","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate","","- C25 H24 Cl4 N2 P2 Pd -","- C25 H24 Cl4 N2 P2 Pd -","- C100 H96 Cl16 N8 P8 Pd4 -","4","1","SJ4198","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","1","x181803","","10.1107/S2414314618018035","","","0.71073","MoKα","","0.0277","0.0222","","","0.0559","0.0569","","","","","","1","","","","has coordinates,has Fobs","213469","2020-10-21","18:00:00",""
"1550459","5.7323","0.0003","9.2537","0.0005","21.6899","0.0012","90","","91.168","0.005","90","","1150.3","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C12 H14 Cl N O3 -","- C12 H14 Cl N O3 -","- C48 H56 Cl4 N4 O12 -","4","1","SJ4197","Rodriguez-Vega, Gibran; Aguirre, Gerardo; Chávez, Daniel","Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate","IUCrData","2019","4","1","x190016","","10.1107/S2414314619000166","","x-ray","0.71073","MoKα","","0.0515","0.0438","","","0.0972","0.1012","","","","","","1.092","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550460","12.241","0.0004","5.9386","0.0002","25.2112","0.0009","90","","90.317","0.003","90","","1832.69","0.11","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol","","","- C20 H21 N5 O -","- C20 H21 N5 O -","- C80 H84 N20 O4 -","4","1","HB4279","Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid","2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol","IUCrData","2019","4","1","x190036","","10.1107/S2414314619000361","","","1.54184","CuKα","","0.0931","0.0842","","","0.234","0.2445","","","","","","1.079","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550461","9.0801","0.0004","15.4598","0.0007","10.092","0.0004","90","","109.453","0.001","90","","1335.81","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","HB4275","Pineda, Leslie W.; Amey, Adam; Cabezas, Jorge A.","5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid","IUCrData","2019","4","1","x181799","","10.1107/S2414314618017996","","","0.71073","MoKα","","0.0625","0.0453","","","0.0943","0.101","","","","","","1.05","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550462","13.702","0.003","11.349","0.002","28.538","0.006","90","","92.999","0.005","90","","4431.7","1.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Cl2 N4 O7 -","- C52 H50 Cl2 N4 O7 -","- C208 H200 Cl8 N16 O28 -","4","1","","Lee, Jae Myoung; Kim, Sung Baek; Sim, Wonbo; Lee, Jai Young","25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-[3-(4-tricyanoethylene)phenyl]-3-aza-pentane-1,5-dioxy)calix[4]arene dichloromethane monosolvate","IUCrData","2019","4","1","x190026","","10.1107/S2414314619000269","","","0.71073","MoKα","","0.1665","0.0613","","","0.1261","0.1754","","","","","","0.88","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550481","16.252","0.003","5.3787","0.0009","27.109","0.004","90","","90.551","0.012","90","","2369.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C23 H26 Br Cl N6 -","- C23 H26 Br Cl N6 -","- C92 H104 Br4 Cl4 N24 -","4","1","HB4278","Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Chakroune, Said; Ouzidan, Younes; Capet, Frédéric","6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2019","4","1","x190053","","10.1107/S2414314619000531","","","0.71073","MoKα","","0.1309","0.0534","","","0.1008","0.1243","","","","","","1.007","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550482","12.2257","0.0004","19.3422","0.0008","19.5199","0.0008","88.061","0.002","72.058","0.002","77.104","0.002","4277.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","FeIIITpivPP1-PhyIm2-Triflate","Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate","","- C95 H90 Cl2 F3 Fe N12 O7 S -","- C95 H90 Cl2 F3 Fe N12 O7 S -","- C190 H180 Cl4 F6 Fe2 N24 O14 S2 -","2","1","PK4022","Li, Jianfeng; Oliver, Allen G.; Scheidt, W. Robert","Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate","IUCrData","2019","4","1","x190015","","10.1107/S2414314619000154","","","0.71073","MoKα","","0.08","0.0448","","","0.1032","0.1236","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","213120","2020-10-21","18:00:00",""
"1550483","8.3075","0.0003","10.4488","0.0004","15.563","0.0006","90","","92.202","0.002","90","","1349.92","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rubidium bis(2-methyllactato)borate monohydrate","Poly[aqua[μ~4~-bis(2-methyllactato)borato]rubidium]","","- C8 H14 B O7 Rb -","- C8 H14 B O7 Rb -","- C32 H56 B4 O28 Rb4 -","4","1","WM4095","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Rubidium bis(2-methyllactato)borate monohydrate","IUCrData","2019","4","1","x190039","","10.1107/S2414314619000397","","","0.71073","MoKα","","0.1106","0.0513","","","0.0879","0.1046","","","","","","1.05","","","","has coordinates,has Fobs","213121","2020-10-21","18:00:00",""
"1550484","10.5467","0.0017","11.6469","0.0019","12.942","0.002","108.321","0.003","102.108","0.003","110.887","0.003","1313.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate","","- C31 H26 N4 O2 S -","- C31 H26 N4 O2 S -","- C62 H52 N8 O4 S2 -","2","1","BT4080","Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Srinivasan, N.; Krishnakumar, R. V.","Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate","IUCrData","2019","4","1","x190010","","10.1107/S2414314619000105","","","0.71073","MoKα","","0.0744","0.0612","","","0.1427","0.1513","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","213122","2020-10-21","18:00:00",""
"1550494","8.4638","0.0005","11.1799","0.0007","5.8353","0.0004","90","","90","","90","","552.16","0.06","100","2","100","2","","","","","","","","4","P m a n","-P 2ab 2","53","","Barium hexahydrogen <i>cyclo</i>-tetradecaoxidotetraarsenate(V)","","- As4 Ba H6 O14 -","- As4 Ba H6 O14 -","- As8 Ba2 H12 O28 -","2","0.25","BT4081","Weil, Matthias","The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms","IUCrData","2019","4","1","x190075","","10.1107/S2414314619000750","","","0.71073","MoKα","","0.019","0.0149","","","0.0314","0.0323","","","","","","1.051","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:43",""
"1550518","14.0201","0.0007","17.4488","0.0008","7.8775","0.0003","90","","90","","90","","1927.1","0.15","296","","296","2","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","","- C27 H17 Cl O -","- C27 H17 Cl O -","- C108 H68 Cl4 O4 -","4","1","","Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","IUCrData","2019","4","1","x181846","","10.1107/S2414314618018461","","","0.71073","MoKα","","0.0589","0.046","","0.0526","0.0518","0.0526","","","","","","0.6074","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550535","7.2595","0.0008","27.492","0.003","7.963","0.0009","90","","113.072","0.008","90","","1462.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Faizi, Md. Serajul Haque; Lone, Mohammad Nadeem; Dege, Necmi; Iskenderov, Turganbay; Malinkin, Sergey","(<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione","IUCrData","2019","4","1","x190094","","10.1107/S2414314619000944","","","0.71073","MoKα","","0.099","0.0479","","","0.1218","0.1407","","","","","","0.833","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550536","12.1865","0.0008","7.6666","0.0005","14.1087","0.0009","90","","111.467","0.002","90","","1226.72","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2,2'-methylenedipyridine)zinc(II)","","- C11 H10 Cl2 N2 Zn -","- C11 H10 Cl2 N2 Zn -","- C44 H40 Cl8 N8 Zn4 -","4","1","SJ4199","Siegfried, Adam; McAbee, Brett; Zotov, Vladimir; McMillen, Colin; Hanks, Timothy","Dichlorido(2,2'-methylenedipyridine)zinc(II)","IUCrData","2019","4","1","x190131","","10.1107/S2414314619001317","","","0.71073","MoKα","","0.0224","0.0208","","","0.0569","0.0579","","","","","","1.056","","","","has coordinates,has Fobs","213392","2020-10-21","18:00:00",""
"1550540","10.087","0.003","7.349","0.002","19.442","0.006","90","","101.276","0.006","90","","1413.4","0.7","220","2","220.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)","","- C14 H8 N4 Pt S2 -","- C14 H8 N4 Pt S2 -","- C56 H32 N16 Pt4 S8 -","4","1","","Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W.","(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)","IUCrData","2019","4","1","x190158","","10.1107/S2414314619001585","","","0.71073","MoKα","","0.0431","0.0318","","","0.0752","0.0814","","","","","","1.049","","","","has coordinates,has Fobs","213446","2020-10-21","18:00:00",""
"1550541","17.8925","0.0015","7.4168","0.0006","11.5006","0.0009","90","","102.061","0.008","90","","1492.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C17 H11 Cl N4 O2 -","- C17 H11 Cl N4 O2 -","- C68 H44 Cl4 N16 O8 -","4","1","HB4282","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hayal Alotaibi, Mohammad; Hegazy, Amany S.; Kariuki, Benson M.","5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","IUCrData","2019","4","1","x190136","","10.1107/S2414314619001366","","","0.71073","MoKα","","0.0734","0.0453","","","0.0966","0.1116","","","","","","1.059","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550542","16.8696","0.0012","7.5226","0.0006","9.054","0.0006","90","","90","","90","","1148.98","0.14","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","","- C10 H12 N2 Pt S2 -","- C10 H12 N2 Pt S2 -","- C40 H48 N8 Pt4 S8 -","4","0.5","TK4054","Ha, Kwang","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","IUCrData","2019","4","1","x190162","","10.1107/S2414314619001627","","","0.71073","MoKα","","0.0202","0.0187","","","0.0437","0.0445","","","","","","1.105","","","","has coordinates,has Fobs","213448","2020-10-21","18:00:00",""
"1550543","7.185","0.0006","7.8479","0.0007","8.9932","0.0008","68.572","0.001","88.393","0.002","74.975","0.001","454.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate","","- B4 H6 K2 O10 -","- B4 H6 K2 O10 -","- B8 H12 K4 O20 -","2","1","WM5482","Dhatchaiyini, M. K.; NizamMohideen, M.; Rajasekar, G.; Bhaskaran, A.","Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate","IUCrData","2019","4","1","x190128","","10.1107/S2414314619001287","","","1.54178","CuKα","","0.0307","0.0287","","","0.0715","0.0729","","","","","","1.079","","","","has coordinates,has Fobs","213449","2020-10-21","18:00:00",""
"1550567","7.7143","0.0005","28.907","0.002","7.501","0.0005","90","","90","","90","","1672.7","0.19","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","LH4043","Lee, Ji Hye; Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2019","4","2","x190179","","10.1107/S2414314619001792","","","0.71073","MoKα","","0.0966","0.0446","","","0.0772","0.1052","","","","","","0.946","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550568","9.959","0.002","10.49","0.002","23.62","0.005","90","","90","","90","","2467.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","","Li, Yu-Long; Zhou, Jin; Zhong, Kai-Long; Shi, Xing-Hao; Zhang, Zhi-Yuan; Jiang, Hong; Sun, Hong-Shun","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2019","4","2","x190134","","10.1107/S2414314619001342","","","0.71073","MoKα","","0.1395","0.0573","","","0.0791","0.0999","","","","","","0.954","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550583","12.3919","0.0007","10.7917","0.0006","19.9794","0.0012","90","","103.138","0.002","90","","2601.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Potassium bis(2-methyllactato)borate hemihydrate","Poly[aquabis[μ~3~-bis(2-methyllactato)borato]dipotassium] [K(C~8~H~12~BO~6~)(H~2~O)~0.5~]","","- C8 H13 B K O6.5 -","- C8 H13 B K O6.5 -","- C64 H104 B8 K8 O52 -","8","1","WM4100","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Potassium bis(2-methyllactato)borate hemihydrate","IUCrData","2019","4","2","x190202","","10.1107/S2414314619002025","","","0.71073","MoKα","","0.0705","0.0493","","","0.1081","0.1192","","","","","","1.161","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550584","10.6258","0.0005","10.2217","0.0005","18.0993","0.0008","90","","90.798","0.002","90","","1965.64","0.16","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","ZQ4034","Lee, Ji Hye; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2019","4","2","x190193","","10.1107/S2414314619001937","","","0.71073","MoKα","","0.1074","0.0634","","","0.1689","0.1983","","","","","","1.025","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550587","7.9243","0.0005","23.7112","0.0009","24.927","0.0015","90","","90","","90","","4683.7","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","","- C27 H17 Cl F N3 O2 S -","- C27 H17 Cl F N3 O2 S -","- C216 H136 Cl8 F8 N24 O16 S8 -","8","1","HB4283","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","IUCrData","2019","4","2","x190170","","10.1107/S2414314619001706","","","0.71073","MoKα","","0.1193","0.0581","","","0.1491","0.1841","","","","","","1.044","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550588","5.2879","0.0003","26.3742","0.001","15.7872","0.0007","90","","98.293","0.004","90","","2178.73","0.18","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole","","- C23 H17 Cl F N5 O S -","- C23 H17 Cl F N5 O S -","- C92 H68 Cl4 F4 N20 O4 S4 -","4","1","HB4284","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole","IUCrData","2019","4","2","x190211","","10.1107/S2414314619002116","","","0.71073","MoKα","","0.0621","0.0424","","","0.0996","0.113","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550628","9.7894","0.0007","10.983","0.0006","17.2596","0.0008","93.49","0.004","95.702","0.005","107.729","0.006","1750.67","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C80 H68 N20 O4 -","4","2","HB4285","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2019","4","2","x190217","","10.1107/S2414314619002177","","","0.71073","MoKα","","0.1244","0.0647","","","0.1441","0.1862","","","","","","1.018","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550645","12.2574","0.001","7.6912","0.0008","22.821","0.003","90","","90","","90","","2151.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C22 H21 F N8 O -","- C22 H21 F N8 O -","- C88 H84 F4 N32 O4 -","4","1","ZQ4035","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","IUCrData","2019","4","2","x190261","","10.1107/S241431461900261X","","","0.71073","MoKα","","0.1054","0.0615","","","0.1527","0.1782","","","","","","1.078","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550646","11.6975","0.0006","11.0671","0.0005","16.5395","0.001","90","","100.303","0.006","90","","2106.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole","","- C25 H17 Cl F N3 S -","- C25 H17 Cl F N3 S -","- C100 H68 Cl4 F4 N12 S4 -","4","1","LH4044","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole","IUCrData","2019","4","2","x190218","","10.1107/S2414314619002189","","","0.71073","MoKα","","0.0839","0.0484","","","0.1076","0.1288","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550647","6.493","0.0007","13.8065","0.001","27.539","0.002","90","","90","","90","","2468.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","","- C28 H23 F N6 S -","- C28 H23 F N6 S -","- C112 H92 F4 N24 S4 -","4","1","HB4287","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","IUCrData","2019","4","2","x190240","","10.1107/S2414314619002402","","","0.71073","MoKα","","0.0975","0.054","","","0.1072","0.1296","","","","","","1.018","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550648","10.432","0.002","11.297","0.002","12.688","0.002","90","","90","","90","","1495.3","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-1-benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","1","EB4001","Onami, Yuika; Siddaraju, Budanur P.; Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Haraguchi, Tomoyuki; Akitsu, Takashiro","(<i>Z</i>)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2019","4","2","x190220","","10.1107/S2414314619002207","","","0.71073","MoKα","","0.0731","0.0713","","","0.1716","0.1732","","","","","","1.076","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550649","7.7981","0.001","7.2249","0.0008","8.9956","0.0011","90","","110.38","0.014","90","","475.09","0.11","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride]","","- C6 H15 Cl N Na O3 -","- C6 H15 Cl N Na O3 -","- C12 H30 Cl2 N2 Na2 O6 -","2","1","WM4096","Krabbe, Christina; Gock, Vinusuya; Lutter, Michael; Jurkschat, Klaus","The sodium chloride complex <i>catena</i>-poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride], N(CH~2~CH~2~OH)~3~·NaCl","IUCrData","2019","4","2","x190238","","10.1107/S2414314619002384","","x-ray","0.71073","MoKα","","0.0532","0.0315","","","0.0412","0.0433","","","","","","0.703","","","","has coordinates,has Fobs","213816","2020-10-21","18:00:00",""
"1550687","6.508","0.004","10.524","0.006","16.047","0.01","90","","90.507","0.01","90","","1099","1.1","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Iodophenyl)pentanedinitrile","","- C11 H9 I N2 -","- C11 H9 I N2 -","- C44 H36 I4 N8 -","4","1","PK4025","Nanpo, Yuuki; Okuno, Tsunehisa","3-(4-Iodophenyl)pentanedinitrile","IUCrData","2019","4","2","x190282","","10.1107/S2414314619002827","","","0.71075","MoKα","","0.0855","0.0684","","","0.0896","0.0951","","","","","","1.207","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550688","9.871","0.004","10.973","0.005","18.067","0.007","90","","91.908","0.014","90","","1955.8","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","GG4002","Kihle, Jan Braly; Görbitz, Carl Henrik","Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate","IUCrData","2019","4","2","x190289","","10.1107/S241431461900289X","","","0.71073","MoKα","","0.0529","0.0407","","","0.1046","0.1111","","","","","","1.029","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550753","8.1712","0.0006","9.5435","0.0008","11.9771","0.001","104.231","0.004","99.49","0.004","100.705","0.004","867.57","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate","","- C10 H24 Cl3 Co F N5 O -","- C9.999 H23.998 Cl3 Co F N5 O -","- C19.998 H47.996 Cl6 Co2 F2 N10 O2 -","2","1","WM4097","SubbiahPandi, A.; AaminaNaaz, Y.; Mahalakshmi, C. Maharaja; Anbalagan, K.","Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate","IUCrData","2019","4","3","x190327","","10.1107/S2414314619003274","","","0.71073","MoKα","","0.0215","0.0193","","","0.0552","0.0578","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","214148","2020-10-21","18:00:00",""
"1550772","6.6631","0.0006","15.2297","0.0017","22.431","0.003","90","","96.39","0.009","90","","2262.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole","","- C26 H17 Cl F N3 O S -","- C26 H17 Cl F N3 O S -","- C104 H68 Cl4 F4 N12 O4 S4 -","4","1","HB4289","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole","IUCrData","2019","4","3","x190359","","10.1107/S2414314619003596","","","0.71073","MoKα","","0.1247","0.0603","","","0.1345","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550832","5.033","0.005","11.682","0.01","15.433","0.015","96.228","0.019","91.207","0.014","94.27","0.02","899.1","1.5","93","","93","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","SJ4201","Ozaki, Koji; Okuno, Tsunehisa","A triclinic polymorph of N-[5-(diphenylamino)penta-2,4-diyn-1-yl]benzamide","IUCrData","2019","4","4","x190371","","10.1107/S2414314619003717","","","0.71075","MoKα","","0.086","0.0582","","","0.1195","0.1356","","","","","","1.051","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550833","8.0664","0.0004","10.0476","0.0005","12.5229","0.0005","79.554","0.004","81.137","0.004","70.517","0.005","936.17","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","2","SU4171","Hebishy, Ali M.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.","3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole","IUCrData","2019","4","4","x190378","","10.1107/S241431461900378X","","","1.54184","CuKα","","0.0406","0.0344","","","0.0849","0.0902","","","","","","1.049","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550843","30.3184","0.0013","11.0972","0.0005","8.0354","0.0003","90","","93.127","0.005","90","","2699.5","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Methyl-2-phenylpent-2-enal thiosemicarbazone","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C104 H136 N24 S8 -","8","1","HB4290","Anitha, L.; Saritha, S. R.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R.","4-Methyl-2-phenylpent-2-enal thiosemicarbazone","IUCrData","2019","4","4","x190436","","10.1107/S241431461900436X","","","0.71073","MoKα","","0.0813","0.052","","","0.1202","0.1351","","","","","","1.064","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550844","12.8109","0.0013","19.708","0.002","11.4152","0.0012","90","","108.649","0.001","90","","2730.8","0.5","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","","- C24 H18 N4 -","- C24 H18 N4 -","- C144 H108 N24 -","6","3","HB4273","Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","IUCrData","2019","4","4","x190295","","10.1107/S2414314619002955","","","0.71073","MoKα","","0.0545","0.0431","","","0.0982","0.1046","","","","","","1.054","","","","has coordinates,has Fobs","214505","2020-10-21","18:00:00",""
"1550845","16.8114","0.0006","16.8114","0.0006","17.8288","0.0006","90","","90","","90","","5038.8","0.3","153","1","153","1","","","","","","","","4","I 41/a","-I 4ad","88","","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","","- C20 H34 N6 S2 -","- C20 H34 N6 S2 -","- C160 H272 N48 S16 -","8","","TK4057","Gasque, Laura; Zermeño, Edgar; Bernès, Sylvain","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","IUCrData","2019","4","4","x190441","","10.1107/S2414314619004413","","x-ray","0.56083","AgKα","","0.0622","0.0476","","","0.1299","0.1379","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:23",""
"1550846","5.9435","0.0003","22.7785","0.0007","15.091","0.0009","90","","124.087","0.008","90","","1692.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine","","- C21 H17 N S -","- C21 H17 N S -","- C84 H68 N4 S4 -","4","1","BH4045","Crundwell, Guy; Crundwell, Hugh Ian","(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine","IUCrData","2019","4","4","x190363","","10.1107/S2414314619003638","","x-ray","0.71073","MoKα","","0.0809","0.0461","","","0.1134","0.1311","","","","","","1.028","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550879","10.3403","0.0003","10.3926","0.0003","14.1442","0.0003","78.9928","0.0014","83.6739","0.0015","60.2736","0.0011","1295.45","0.06","300","1","300","1","","","","","","","","4","P -1","-P 1","2","","2-[(<i>tert</i>-Butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one","","- C30 H30 O2 Si -","- C30 H30 O2 Si -","- C60 H60 O4 Si2 -","2","1","LH4045","Di Grandi, Martin J.; Taylor, Brett; Corfield, Peter W. R.","The crystal structure of 2-[(<i>tert</i>-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one","IUCrData","2019","4","4","x190478","","10.1107/S2414314619004784","","","0.7107","MoKα","","0.0513","0.0434","","","0.1174","0.123","","","","","","1.044","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550880","8.4771","0.0002","16.0726","0.0004","15.7922","0.0003","90","","103.958","0.001","90","","2088.14","0.08","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","","- C21 H25 Cl N2 O4 -","- C21 H25 Cl N2 O4 -","- C84 H100 Cl4 N8 O16 -","4","2","SJ4202","Wang, Ruiyao; Aquino, Manuel A.S.","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","IUCrData","2019","4","4","x190494","","10.1107/S2414314619004942","","","0.71073","MoKα","","0.0473","0.0378","","","0.0918","0.0987","","","","","","1.037","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550896","6.4849","0.0003","14.7539","0.0007","8.3224","0.0004","90","","97.295","0.0013","90","","789.82","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propane-1,3-diammonium molybdate","","- C3 H12 Mo N2 O4 -","- C3 H12 Mo N2 O4 -","- C12 H48 Mo4 N8 O16 -","4","1","WM4103","Wane, Alioune; Kama, Antoine Blaise; Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Propane-1,3-diammonium molybdate","IUCrData","2019","4","4","x190500","","10.1107/S2414314619005005","","x-ray","0.71073","MoKα","","0.0164","0.016","","","0.0403","0.0405","","","","","","1.111","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550914","11.5029","0.0003","31.8022","0.0009","10.8445","0.0003","90","","113.84","0.002","90","","3628.63","0.18","250","1","250","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate","","- C37 H35 Gd O15 -","- C37 H35 Gd O15 -","- C148 H140 Gd4 O60 -","4","1","IM4004","Gasque, Laura; Guzmán-Méndez, Óscar; Bernès, Sylvain","Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate","IUCrData","2019","4","4","x190493","","10.1107/S2414314619004930","","x-ray","0.56083","AgKα","","0.0534","0.0337","","","0.0723","0.0784","","","","","","1.013","","","","has coordinates,has Fobs","214706","2020-10-21","18:00:00",""
"1550945","24.2914","0.0017","14.3317","0.001","7.5014","0.0005","90","","90","","90","","2611.5","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","","","- C34 H24 Br2 Fe -","- C34 H24 Br2 Fe -","- C136 H96 Br8 Fe4 -","4","1","HB4292","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","IUCrData","2019","4","4","x190487","","10.1107/S2414314619004875","","","0.71073","MoKα","","0.0637","0.0461","","","0.0954","0.1033","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","214796","2020-10-21","18:00:00",""
"1550946","10.8596","0.001","15.1262","0.001","7.904","0.0003","90","","103.749","0.01","90","","1261.14","0.16","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dichloro-3',4'-dimethoxybiphenyl","","- C14 H12 Cl2 O2 -","- C14 H12 Cl2 O2 -","- C56 H48 Cl8 O8 -","4","1","SJ4203","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","3,5-Dichloro-3',4'-dimethoxybiphenyl","IUCrData","2019","4","4","x190518","","10.1107/S2414314619005182","","","0.71073","MoKα","","0.0376","0.0298","","","0.0694","0.0721","","","","","","1.09","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550962","11.0914","0.0004","13.6412","0.0004","11.9739","0.0004","90","","113.863","0.004","90","","1656.78","0.11","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","NK4001","Forsyth, Craig M.; Nazarian, Zohreh","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione","IUCrData","2019","4","4","x190520","","10.1107/S2414314619005200","","","1.54184","CuKα","","0.0379","0.0348","","","0.0859","0.0882","","","","","","1.053","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550970","10.1398","0.0005","10.8359","0.0006","11.2588","0.0005","90","","115.687","0.003","90","","1114.8","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~4~-bis(2-methyllactato)borato]sodium]","","- C8 H12 B Na O6 -","- C8 H12 B Na O6 -","- C32 H48 B4 Na4 O24 -","4","1","WM4104","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Sodium bis(2-methyllactato)borate","IUCrData","2019","4","5","x190593","","10.1107/S2414314619005935","","","0.71073","MoKα","","0.0534","0.0349","","","0.0828","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:44",""
"1551017","11.8362","0.0007","11.7958","0.0007","7.8459","0.0005","90","","91.673","0.001","90","","1094.96","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","VM4040","Rbaa, Mohamed; Ramli, Youssef; Lakhrissi, Younes; Mague, Joel; Lakhrissi, Brahim","5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol","IUCrData","2019","4","5","x190625","","10.1107/S2414314619006254","","","0.71073","MoKα","","0.0331","0.0317","","","0.0912","0.0927","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551018","11.3335","0.0002","32.6839","0.0009","15.9743","0.0004","90","","105.876","0.001","90","","5691.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Carbonyl-2:3κ^2^<i>C</i>:<i>C</i>-octacarbonyl-1κ^3^<i>C</i>, 2κ<i>C</i>,3κ<i>C</i>,4κ^3^<i>C</i>-bis[1:2μ-(η^6^:η^5^);3:4μ-(η^5^:η^6^)-2-methylindenyl]-1,4-dichromium(0)-2,3-dirhodium(III)}(<i>Rh</i>—<i>Rh</i>)","","- C29 H18 Cr2 O9 Rh2 -","- C29 H18 Cr2 O9 Rh2 -","- C232 H144 Cr16 O72 Rh16 -","8","2","NR4002","Werlé, Christophe; Bailly, Corinne; Karmazin, Lydia; Djukic, Jean-Pierre","μ-Carbonyl-bis(carbonyl{η^5^-[tricarbonyl(η^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>—<i>Rh</i>)","IUCrData","2019","4","5","x190573","","10.1107/S241431461900573X","","","0.71073","MoKα","","0.1077","0.0565","","","0.0967","0.1124","","","","","","1.034","","","","has coordinates,has Fobs","215044","2020-10-21","18:00:00",""
"1551019","16.0043","0.0003","7.4649","0.0002","23.5799","0.0005","90","","95.161","0.001","90","","2805.68","0.11","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate","","- C12 H11 Cl N2 O6 S -","- C12 H11 Cl N2 O6 S -","- C96 H88 Cl8 N16 O48 S8 -","8","1","IS4031","Manickam, R.; Rajakannan, V.; Prabhaharan, M.; Srinivasan, G.","2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate","IUCrData","2019","4","5","x190566","","10.1107/S2414314619005662","","","0.71073","MoKα","","0.0297","0.0279","","","0.0777","0.0785","","","","","","1.144","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551020","10.8313","0.0004","7.618","0.0003","24.1463","0.0008","90","","90","","90","","1992.38","0.13","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","HB4297","Lough, Alan J.; Hill, Jarvis; Tam, William","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","IUCrData","2019","4","5","x190609","","10.1107/S2414314619006096","","","1.54178","CuKα","","0.0346","0.0341","","","0.0873","0.0877","","","","","","1.053","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551058","7.774","0.0006","8.4772","0.0005","9.6599","0.0007","66.595","0.006","77.917","0.006","76.113","0.006","562.49","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","HB4291","Ruan, Yao; Zhao, Hui","(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide","IUCrData","2019","4","5","x190607","","10.1107/S2414314619006072","","","0.71073","MoKα","","0.0693","0.0585","","","0.1452","0.1572","","","","","","1.084","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551059","7.3573","0.0003","11.2345","0.0005","12.9215","0.0005","74.215","0.004","78.085","0.004","85.178","0.004","1005.17","0.08","288.9","0.1","288.9","0.1","","","","","","","","6","P -1","-P 1","2","","Poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]","","- C28 H32 N2 O32 S4 Zn5 -","- C28 H32 N2 O32 S4 Zn5 -","- C28 H32 N2 O32 S4 Zn5 -","1","0.5","TK4056","Yu, Jiamei; Wang, De-Chao; Wang, Bin","Polymeric poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]","IUCrData","2019","4","5","x190667","","10.1107/S2414314619006679","","","1.54184","CuKα","","0.0518","0.0427","","","0.1151","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","215176","2020-10-21","18:00:00",""
"1551060","6.8542","0.0004","19.9526","0.0011","7.6704","0.0004","90","","95.762","0.003","90","","1043.7","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3-Dichloro-3',4'-dihydroxybiphenyl","4-(2,3-Dichlorophenyl)benzene-1,2-diol","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","1","SJ4205","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","2,3-Dichloro-3',4'-dihydroxybiphenyl","IUCrData","2019","4","5","x190662","","10.1107/S241431461900662X","","","0.71073","MoKα","","0.0776","0.0456","","","0.0678","0.0741","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551061","21.1667","0.0008","6.6243","0.0003","11.3247","0.0004","90","","91.509","0.002","90","","1587.34","0.11","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethylammonium hydrogen oxalate–oxalic acid (2/1)","","- C10 H20 N2 O12 -","- C10 H20 N2 O12 -","- C40 H80 N8 O48 -","4","0.5","BV4024","Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Ethylammonium hydrogen oxalate–oxalic acid (2/1)","IUCrData","2019","4","5","x190635","","10.1107/S2414314619006357","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0706","0.0747","","","","","","1.029","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551062","6.944","0.0008","12.1354","0.0016","8.8283","0.0011","90","","98.888","0.011","90","","735.01","0.16","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one","","- C5 H8 N2 O S -","- C5 H8 N2 O S -","- C20 H32 N8 O4 S4 -","4","1","SJ4204","Josey, Daniel; Shank, Nathaniel; Padgett, Clifford W.","2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one","IUCrData","2019","4","5","x190613","","10.1107/S2414314619006138","","x-ray","0.71073","MoKα","","0.0857","0.0509","","","0.1106","0.1417","","","","","","1.082","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551069","7.0128","0.0007","7.9882","0.0008","9.0732","0.0009","74.121","0.004","86.734","0.004","79.29","0.004","480.36","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate","","- C4 H11 N5 O6 S -","- C4 H11 N5 O6 S -","- C8 H22 N10 O12 S2 -","2","1","RZ4030","Tapmeyer, Lukas; Prill, Dragica","6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate","IUCrData","2019","4","5","x190689","","10.1107/S2414314619006898","","","1.54178","CuKα","","0.0866","0.0797","","","0.2624","0.2812","","","","","","1.399","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551092","6.9477","0.0004","10.8782","0.0007","20.8769","0.0011","89.11","0.003","87.052","0.003","78.876","0.003","1546.13","0.16","150","2","150.39","","","","","","","","","5","P -1","-P 1","2","","Dodecan-1-aminium sulfate trihydrate","","- C24 H62 N2 O7 S -","- C24 H62 N2 O7 S -","- C48 H124 N4 O14 S2 -","2","1","ZQ4036","Liu, Jiapan; Di, Youying; Chen, Fengying","Dodecan-1-aminium sulfate trihydrate","IUCrData","2019","4","5","x190704","","10.1107/S2414314619007041","","","0.71073","MoKα","","0.0753","0.0467","","","0.1106","0.1253","","","","","","1.024","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551159","8.4487","0.0002","23.7284","0.0005","10.4078","0.0002","90","","104.698","0.001","90","","2018.22","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C24 H26 S2","1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene","","- C24 H26 S2 -","- C24 H26 S2 -","- C96 H104 S8 -","4","1","HB4295","Garita-Salazar, Bruno; Pineda, Leslie W.","1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene","IUCrData","2019","4","5","x190677","","10.1107/S2414314619006771","","","1.54178","CuKα","","0.035","0.0304","","","0.0741","0.0765","","","","","","1.054","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551194","8.6061","0.0002","7.582","0.0001","7.7252","0.0002","90","","105.88","0.0011","90","","484.843","0.018","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Barium oxidotellurate(IV) monohydrate","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","HB4298","Weil, Matthias","Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms","IUCrData","2019","4","5","x190770","","10.1107/S2414314619007703","","","0.71069","MoKα","","0.029","0.0199","","","0.0388","0.0415","","","","","","1.006","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551244","7.0848","0.0008","26.422","0.003","6.2664","0.0007","90","","90","","90","","1173","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Iodo-2-[(phenylimino)methyl]phenol","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","TK4058","Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.","(E)-4-Iodo-2-[(phenylimino)methyl]phenol","IUCrData","2019","4","6","x190788","","10.1107/S2414314619007880","","","0.71073","MoKα","","0.0806","0.0802","","","0.2228","0.2233","","","","","","1.182","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551354","23.194","0.003","9.825","0.001","16.475","0.002","90","","106.154","0.013","90","","3606.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)","","- C32 H44 Co N6 O4 S2 -","- C32 H44 Co N6 O4 S2 -","- C128 H176 Co4 N24 O16 S8 -","4","1","HB4299","Nithya, Palanivelu; Govindarajan, Subbiah; Simpson, Jim","Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)","IUCrData","2019","4","6","x190812","","10.1107/S2414314619008125","","","1.54184","CuKα","","0.1533","0.0943","","","0.223","0.2625","","","","","","1.07","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551445","14.7115","0.0016","4.9598","0.0006","17.3105","0.0019","90","","112.96","0.002","90","","1163","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-6-chloropyridine–glutaric acid (1/1)","6-Chloropyridin-2-amine–pentanedioic acid (1/1)","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C40 H52 Cl4 N8 O16 -","4","1","IS4033","Manickam, R.; Prabhaharan, M.; Jagadeesan, G.; Rajakannan, V.; Srinivasan, G.","2-Amino-6-chloropyridine–glutaric acid (1/1)","IUCrData","2019","4","6","x190781","","10.1107/S2414314619007818","","","0.71073","MoKα","","0.043","0.0326","","","0.0861","0.0935","","","","","","0.927","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:24",""
"1551865","20.572","0.003","3.9052","0.0005","14.811","0.003","90","","110.95","0.02","90","","1111.2","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methyluracil","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","1","RZ4031","Portalone, Gustavo","6-Methyluracil: a redetermination of polymorph (II)","IUCrData","2019","4","6","x190861","","10.1107/S2414314619008617","","x-ray","0.710689","MoKα","","0.0582","0.0483","","","0.1255","0.1333","","","","","","1.109","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552081","16.0488","0.0008","11.2984","0.0006","19.648","0.001","90","","112.379","0.004","90","","3294.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iodo(triphenyl)silane","","- C18 H15 I Si -","- C18 H15 I Si -","- C144 H120 I8 Si8 -","8","1","HB4304","Schödel, Frauke; Lerner, Hans-Wolfram; Trageser, Timo; Bolte, Michael","Iodo(triphenyl)silane","IUCrData","2019","4","7","x190959","","10.1107/S2414314619009593","","","0.71073","MoKα","","0.0993","0.0727","","","0.1369","0.1528","","","","","","1.341","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552082","6.3966","0.0009","11.7504","0.0016","13.3579","0.0019","104.407","0.001","96.978","0.001","93.267","0.001","961.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","Poly[diaqua[μ~4~-2-(carboxylatomethoxy)benzoato][μ~2~-2-(carboxylatomethoxy)benzoato]dicadmium(II)]","","- C18 H16 Cd2 O12 -","- C18 H16 Cd2 O12 -","- C36 H32 Cd4 O24 -","2","1","LH4046","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ4-2-(carboxylatomethoxy)benzoato][μ2-2-(carboxylatomethoxy)benzoato]dicadmium(II)]","IUCrData","2019","4","7","x190953","","10.1107/S2414314619009532","","","0.71073","MoKα","","0.0274","0.0239","","","0.0546","0.0573","","","","","","1.059","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:45",""
"1552104","7.2599","0.0005","9.4979","0.0007","11.9596","0.0008","106.149","0.002","90.236","0.002","108.939","0.002","745.18","0.09","446","2","446","2","","","","","","","","7","P -1","-P 1","2","","Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H14 Cl F N2 O2 S -","- C14 H14 Cl F N2 O2 S -","- C28 H28 Cl2 F2 N4 O4 S2 -","2","1","HB4301","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","IUCrData","2019","4","7","x190960","","10.1107/S241431461900960X","","","0.71073","MoKα","","0.0727","0.0543","","","0.1492","0.158","","","","","","1.03","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552105","7.0809","0.0001","16.7912","0.0003","6.5001","0.0001","90","","90","","90","","772.84","0.02","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Bis(2-methyllactato)borate tetrahydrate","3,3,8,8-Tetramethyl-1,4,6,9-tetraoxa-λ^4^-boraspiro[4.4]nonane-2,7-dione tetrahydrate","","- C8 H20 B O10 -","- C8 H20 B O10 -","- C16 H40 B2 O20 -","2","0.5","","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(2-methyllactato)borate tetrahydrate","IUCrData","2019","4","7","x190982","","10.1107/S2414314619009829","","","0.71073","MoKα","","0.0383","0.036","","","0.0917","0.0942","","","","","","1.081","","","","has coordinates,has Fobs","217014","2020-10-21","18:00:00",""
"1552106","11.1629","0.0002","8.7778","0.0001","15.3748","0.0003","90","","101.558","0.002","90","","1475.96","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate","","- C26 H38 O15 -","- C26 H38 O15 -","- C52 H76 O30 -","2","1","","Bollard, H. E.; Banwell, M. G.; Ward, J. S.","(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate","IUCrData","2019","4","7","x190986","","10.1107/S2414314619009866","","x-ray","1.54184","CuKα","","0.0376","0.0366","","","0.0965","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552113","17.667","0.0004","12.8871","0.0003","11.7476","0.0003","90","","90","","90","","2674.65","0.11","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","","- C22 H26 Br2 Cl2 N4 O Pd -","- C22 H26 Br2 Cl2 N4 O Pd -","- C88 H104 Br8 Cl8 N16 O4 Pd4 -","4","1","RZ4032","Liu, Qilin; Mao, Pu; Yuan, Jinwei; Xiao, Yongmei; Yang, Liangru","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","7","x190899","","10.1107/S241431461900899X","","x-ray","1.54184","CuKα","","0.0551","0.0486","","","0.1293","0.1379","","","","","","1.031","","","","has coordinates,has Fobs","217103","2020-10-21","18:00:00",""
"1552114","9.384","0.003","11.032","0.004","14.827","0.005","90","","102.609","0.004","90","","1497.9","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-(Biphenyl-4-yl)-6-hydroxyindan-1-one","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","BH4047","McCoy, Ryan N.; Robertson, Katherine N.; Ylijoki, Kai E. O.","7-(Biphenyl-4-yl)-6-hydroxyindan-1-one","IUCrData","2019","4","7","x190951","","10.1107/S2414314619009519","","","0.71073","MoKα","","0.132","0.0792","","","0.203","0.2334","","","","","","1.077","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552117","13.479","0.003","11.213","0.002","22.552","0.005","90","","90","","90","","3408.5","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)\ hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane","","- C32 H22 F12 N4 O2 -","- C32 H22 F12 N4 O2 -","- C128 H88 F48 N16 O8 -","4","0.5","HB4306","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane including an unknown solvate","IUCrData","2019","4","7","x191010","","10.1107/S2414314619010101","","","0.7879","synchrotron","","0.1153","0.0792","","","0.1897","0.2152","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:25",""
"1552118","5.4399","0.0004","6.3599","0.0004","11.0232","0.0008","96.702","0.001","92.728","0.001","98.599","0.001","373.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate","","- C12 H6 Cl4 I2 -","- C12 H6 Cl4 I2 -","- C12 H6 Cl4 I2 -","1","0.5","ZL4031","Bosch, Eric","1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate","IUCrData","2019","4","7","x190993","","10.1107/S2414314619009933","","","0.71073","MoKα","","0.0134","0.0131","","","0.0315","0.0317","","","","","","1.094","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552119","14.265","0.008","8.06","0.004","17.564","0.009","90","","90","","90","","2019.4","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-nitro-1,10-phenanthroline","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C96 H64 N32 O16 -","8","1","HB4300","Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G.","5-Amino-6-nitro-1,10-phenanthroline","IUCrData","2019","4","7","x191016","","10.1107/S2414314619010162","","","0.71073","MoKα","","0.1332","0.0579","","","","0.1758","","","","","","1.027","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552129","12.7307","0.0016","9.0363","0.0012","7.4742","0.0009","90","","100.924","0.004","90","","844.24","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one","","- C8 H5 Cl F3 N O -","- C8 H5 Cl F3 N O -","- C32 H20 Cl4 F12 N4 O4 -","4","1","HB4303","Gao, Jie; Pan, Yangdan; Li, Yahong; Li, Yafei","1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one","IUCrData","2019","4","7","x191025","","10.1107/S2414314619010253","","","0.71073","MoKα","","0.0783","0.0432","","","0.093","0.1131","","","","","","1.057","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552130","9.3993","0.0004","13.7266","0.0005","13.8797","0.0006","90","","93.9017","0.0014","90","","1786.61","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate","","- C10 H26 I2 N4 O Pd -","- C10 H26 I2 N4 O Pd -","- C40 H104 I8 N16 O4 Pd4 -","4","1","WM4111","Ha, Kwang","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate","IUCrData","2019","4","7","x191032","","10.1107/S2414314619010320","","","0.71073","MoKα","","0.0194","0.0174","","","0.0396","0.0406","","","","","","1.116","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552132","5.767","0.0003","8.1908","0.0003","31.6737","0.0009","90","","90","","90","","1496.15","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","","- C16 H19 N Se -","- C16 H19 N Se -","- C64 H76 N4 Se4 -","4","1","HB4305","Prabhu Kumar, K. M.; Palakshamurthy, B. S.; Jasinski, J. P.; Butcher, R. J.; Raghavendra Kumar, P.","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","IUCrData","2019","4","7","x191029","","10.1107/S2414314619010290","","","1.54178","CuKα","","0.0469","0.0414","","","0.1173","0.1221","","","","","","1.086","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552133","8.3836","0.0003","8.478","0.0003","13.305","0.0004","97.779","0.003","101.929","0.002","114.967","0.002","811.94","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 Cl2 N2 O2 S -","- C16 H16 Cl2 N2 O2 S -","- C32 H32 Cl4 N4 O4 S2 -","2","1","HB4309","Ibrahim, Mohammad M.; Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael","3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2019","4","7","x191046","","10.1107/S2414314619010460","","","1.54178","CuKα","","0.0519","0.0495","","","0.1345","0.1365","","","","","","1.054","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552134","9.078","0.002","10.473","0.002","12.236","0.003","65.065","0.006","77.42","0.007","65.229","0.007","956.6","0.4","183","2","183.15","","","","","","","","","5","P -1","-P 1","2","1-(mesityl)-3-(benzyl)imidazole-2-silver(I)acetate","Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-\ ylidene]silver(I)}","","- C42 H46 Ag2 N4 O4 -","- C42 H46 Ag2 N4 O4 -","- C42 H46 Ag2 N4 O4 -","1","0.5","PK4026","Jayaraman, Selvakumar; Castillo Guel, Roberto Alexander; Malek, Kotiba; Arumugam, Kuppuswamy","Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-ylidene]silver(I)}","IUCrData","2019","4","7","x191003","","10.1107/S2414314619010034","","","0.71073","MoKα","","0.0455","0.0346","","","0.0752","0.0798","","","","","","1.051","","","","has coordinates,has Fobs","217329","2020-10-21","18:00:00",""
"1552135","9.7053","0.0006","11.0901","0.0007","12.4156","0.0008","68.0282","0.0016","81.7012","0.0016","86.4672","0.0016","1226.25","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine","","- C31 H30 O6 -","- C31 H30 O6 -","- C62 H60 O12 -","2","1","HB4307","Täufer, Amely; Köckritz, Angela; Quint, Stephan; Spannenberg, Anke","8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine","IUCrData","2019","4","7","x191018","","10.1107/S2414314619010186","","","0.71073","MoKα","","0.0539","0.0454","","","0.1272","0.1375","","","","","","1.052","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552143","9.6314","0.0011","4.8612","0.0006","17.269","0.002","90","","90","","90","","808.54","0.17","173","2","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>poly</i>-[μ~4~(4-(Carboxymethyl)benzoato)zinc(II)]","","- C9 H6 O4 Zn -","- C9 H6 O4 Zn -","- C36 H24 O16 Zn4 -","4","1","LH4047","Jia, Jason; LaDuca, Robert L.","Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)]","IUCrData","2019","4","7","x191014","","10.1107/S2414314619010149","","","0.71073","MoKα","","0.02","0.0193","","","0.048","0.0485","","","","","","1.074","","","","has coordinates,has Fobs","217382","2020-10-21","18:00:00",""
"1552164","12.8262","0.0002","22.1075","0.0004","28.9552","0.0005","72.349","0.002","79.8","0.002","89.827","0.001","7689","0.2","150","1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Bis(μ~2~-4-nitrophenolato)bis(4-nitrophenolato)di-μ~3~-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]","","- C73.5 H57.5 Cl4.5 N4 O14 Sn4 -","- C73.5 H57.5 Cl4.5 N4 O14 Sn4 -","- C294 H230 Cl18 N16 O56 Sn16 -","4","2","","Butler, Patrick","Bis(μ2-4-nitrophenolato)bis(4-nitrophenolato)di-μ3-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]: a tetranuclear stannoxane","IUCrData","2019","4","8","x191067","","10.1107/S2414314619010678","","x-ray","1.54184","CuKα","","0.0942","0.0691","","","0.1746","0.1967","","","","","","1.042","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:45",""
"1552238","5.7854","0.0007","9.2974","0.0011","12.6443","0.0012","90","","94.217","0.01","90","","678.29","0.13","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole","","- C17 H12 Cl Fe N O -","- C17 H12 Cl Fe N O -","- C34 H24 Cl2 Fe2 N2 O2 -","2","1","VM4041","Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Martínez-Falcón, Ezequiel; Klimova, Elena I.","5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole","IUCrData","2019","4","8","x191096","","10.1107/S2414314619010964","","","0.71073","MoKα","","0.0566","0.0467","","","0.1043","0.1142","","","","","","1.077","","","","has coordinates,has Fobs","217556","2020-10-21","18:00:00",""
"1552239","4.576","0.004","15.755","0.013","11.134","0.009","90","","100.45","0.03","90","","789.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione","","- C7 H4 N2 O3 S -","- C7 H4 N2 O3 S -","- C28 H16 N8 O12 S4 -","4","1","HB4314","Jebbari, Said; Abdellatif, El Kihel; Ahbala, Mustapha; Saadi, Mohamed; El Ammari, Lahcen","6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione","IUCrData","2019","4","8","x191119","","10.1107/S2414314619011192","","","0.71073","MoKα","","0.052","0.0401","","","0.1027","0.1101","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552261","12.7584","0.0008","11.706","0.0007","13.3452","0.0008","90","","92.273","0.002","90","","1991.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(Cycloheptylidene)thiosemicarbazide","","- C8 H15 N3 S -","- C8 H15 N3 S -","- C64 H120 N24 S8 -","8","2","","Singh, Mulveer; Anthal, Sumati; Sankpal, Sandeep S.; Deshmukh, Madhukar B.; Kant, Rajni","1-(Cycloheptylidene)thiosemicarbazide","IUCrData","2019","4","8","x191153","","10.1107/S2414314619011532","","","0.71073","MoKα","","0.0389","0.0333","","","0.0848","0.0914","","","","","","1.055","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552276","8.2151","0.0005","9.285","0.0005","11.6086","0.0007","108.184","0.004","103.004","0.004","105.089","0.002","765.64","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","BV4022","Krishnan, G. Anantha; Kumar, C. Udhaya; Mohandas, T.; Pillai, M. Velayutham; Sakthivel, P.","Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","IUCrData","2019","4","1","x190054","","10.1107/S2414314619000543","","","0.71073","MoKα","","0.1006","0.052","","","0.1313","0.1601","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","274689","2022-04-26","14:29:15",""
"1552281","7.5009","0.0009","7.6819","0.0009","19.387","0.003","99.733","0.011","100.641","0.011","90.523","0.009","1081.1","0.3","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","5,10-Dihydroindeno[2,1-<i>a</i>]indene","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","2","BT4085","Detert, Heiner; Schollmeyer, Dieter","5,10-Dihydroindeno[2,1-<i>a</i>]indene","IUCrData","2019","4","8","x191179","","10.1107/S2414314619011799","","","0.71073","MoKα","","0.1351","0.056","","","0.1146","0.1413","","","","","","1.031","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552297","9.3713","0.0002","14.1059","0.0003","15.7347","0.0004","90","","90","","90","","2079.98","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Poly[diaqua[μ-<i>D</i>-(+)-glucosammonium]tri-μ-thiocyanato-thiocyanatocobalt(II)potassium(I)]","","- C10 H18 Co K N5 O7 S4 -","- C10 H18 Co K N5 O7 S4 -","- C40 H72 Co4 K4 N20 O28 S16 -","4","1","WM4108","Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin","Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O","IUCrData","2019","4","9","x191142","","10.1107/S2414314619011428","","","0.71073","MoKα","","0.061","0.0376","","","0.0539","0.0583","","","","","","0.98","","","","has coordinates,has Fobs","218068","2020-10-21","18:00:00",""
"1552298","14.8549","0.0008","5.1581","0.0003","10.5471","0.0006","90","","105.816","0.002","90","","777.56","0.08","149.98","","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-phenylphosphonato)zinc(II)]","","- C6 H5 O3 P Zn -","- C6 H5 O3 P Zn -","- C24 H20 O12 P4 Zn4 -","4","1","HB4317","Falvello, Larry; Lotti, Paolo; Massera, Chiara; Tarantino, Serena C.; Zema, Michele; Puschmann, Horst; Agbahoungbata, Marielle Y.; Andreo, Jacopo; Sahadevan, Suchithra Ashoka; Bismuto, Alessandro; Bonfant, Giulia; Bonou, Sourou A. S.; Carraro, Claudia; Zotti, Marta De; di Biase, Armando; Fantini, Riccardo; Ferraboschi, Ilaria; Custodio, Jean Marcos Ferreira; Frigerio, Matteo; Gallo, Gianpiero; Gjyli, Silvana; Goudjil, Meriem; Igoa, Fernando; Kahveci, Enver; Kalienko, Maksim; Lorenzon, Sofia; Macera, Ludovico; Fajardo, Joaqun Joaqun Manrique; Nushi, Enida; Ouaatta, Said; Parisi, Emmanuele; Pasqualetto, Leonardo; Pesko, Edyta; Pierri, Giovanni; Pinalli, Roberta; Poppe, Romy; Santoro, Antonio; Smirnova, Ekaterina; Sorbara, Simona; Tensi, Leonardo; Tusha, Gers","Poly[(μ~4~-phenylphosphonato)zinc(II)]","IUCrData","2019","4","9","x191222","","10.1107/S2414314619012227","","","1.54178","CuKα","","0.0457","0.0449","","","0.1205","0.121","","","","","","1.0378","","","","has coordinates,has disorder","218069","2020-10-21","18:00:00",""
"1552299","6.2198","0.0003","16.9271","0.0008","10.446","0.0005","90","","101.013","0.003","90","","1079.53","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,5-Dichlorophenyl)benzene-1,2-diol","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","1","LH4050","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","3-(3,5-Dichlorophenyl)benzene-1,2-diol","IUCrData","2019","4","9","x191202","","10.1107/S2414314619012021","","","0.71073","MoKα","","0.0463","0.0333","","","0.0703","0.0742","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552300","7.5318","0.0005","11.0092","0.0006","18.1896","0.0012","85.6","0.005","87.945","0.005","78.702","0.005","1474.34","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","2","HB4315","Gleede, Barbara; Oehl, Elisabeth K.; Schollmeyer, Dieter; Waldvogel, Siegfried R.","3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol","IUCrData","2019","4","9","x191212","","10.1107/S2414314619012124","","","0.71073","MoKα","","0.0867","0.0459","","","0.11","0.1218","","","","","","0.962","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552301","9.1797","0.0013","30.203","0.004","11.0131","0.0016","90","","111.056","0.002","90","","2849.6","0.7","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine","","- C34 H35 N O4 -","- C34 H35 N O4 -","- C136 H140 N4 O16 -","4","1","HB4313","Zhang, Sijing; Han, Heguo; Xu, Yahan; Ma, Wen; Wu, Jieying","7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine","IUCrData","2019","4","9","x191205","","10.1107/S2414314619012057","","","0.71073","MoKα","","0.0727","0.0507","","","0.1342","0.1498","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:26",""
"1552316","17.4314","0.0006","9.1871","0.0003","13.227","0.0004","90","","93.7501","0.0012","90","","2113.69","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(quinolinium) tetrabromidomanganate(II)","","- C18 H16 Br4 Mn N2 -","- C18 H16 Br4 Mn N2 -","- C72 H64 Br16 Mn4 N8 -","4","0.5","SJ4208","Papa, Veronica; Spannenberg, Anke; Beller, Matthias; Junge, Kathrin","Bis(quinolinium) tetrabromidomanganate(II)","IUCrData","2019","4","9","x191231","","10.1107/S2414314619012318","","","0.71073","MoKα","","0.0186","0.0163","","","0.0397","0.0406","","","","","","1.053","","","","has coordinates,has Fobs","218161","2020-10-21","18:00:00",""
"1552317","10.2673","0.0017","11.885","0.002","12.839","0.002","90.601","0.003","108.694","0.002","108.797","0.002","1393.5","0.4","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","","3-Ethyl-4-methyl-3-pyrrolin-2-one‒3-ethyl-4-methyl-3-pyrroline-2,5-dione (1/1)","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","2","HB4316","Gehman, Zoë M.; Kassel, W. Scott; Piro, Nicholas A.","1:1 Co-crystal of 3-ethyl-4-methyl-3-pyrrolin-2-one and 3-ethyl-4-methyl-3-pyrroline-2,5-dione","IUCrData","2019","4","9","x191209","","10.1107/S2414314619012094","","","0.71073","MoKα","","0.0724","0.0493","","","0.1158","0.129","","","","","","1.023","","","","has coordinates,has Fobs","218162","2020-10-21","18:00:00",""
"1552318","10.238","0.002","19.104","0.004","9.463","0.002","90","","90","","90","","1850.8","0.7","298","","298","","","","","","","","","4","I b a 2","I 2 -2c","45","","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","","- C6 H10 Cd O6 -","- C6 H10 Cd O6 -","- C48 H80 Cd8 O48 -","8","1","WM4107","Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","IUCrData","2019","4","9","x191255","","10.1107/S2414314619012550","","","0.71073","MoKα","","0.029","0.0253","","","0.0625","0.0646","","","","","","1.054","","","","has coordinates,has Fobs","218163","2020-10-21","18:00:00",""
"1552332","13.2243","0.0001","16.1431","0.0002","24.3966","0.0003","90","","90.958","0.001","90","","5207.49","0.1","122.99","0.1","122.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)caesium] pentacarbonylmolybdate","","- C41 H72 Cs2 Mo N4 O17 -","- C41 H72 Cs2 Mo N4 O17 -","- C164 H288 Cs8 Mo4 N16 O68 -","4","1","WM4112","Kaas, Marina; Korber, Nikolaus","Synthesis and crystal structure of [Cs([2.2.2]crypt)]~2~[Mo(CO)~5~]","IUCrData","2019","4","9","x191244","","10.1107/S2414314619012446","","","0.71073","MoKα","","0.039","0.0297","","","0.0617","0.0654","","","","","","1.073","","","","has coordinates,has Fobs","218290","2020-10-21","18:00:00",""
"1552355","18.1038","0.0011","18.1038","0.0011","18.1038","0.0011","90","","90","","90","","5933.5","0.6","100","2","100","","","","","","","","","5","I m -3","-I 2 2 3","204","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione [+solvent]","5,11-Disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-\ tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-diene-2,8-dione [+solvent]","","- C44 H44 N4 O2 S2 -","- C44 H44 N4 O2 S2 -","- C264 H264 N24 O12 S12 -","6","0.125","ZQ4037","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione","IUCrData","2019","4","9","x191268","","10.1107/S2414314619012689","","","0.71073","MoKα","","0.0597","0.049","","","0.1095","0.1221","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:26",""
"1552356","14.822","0.0009","5.2416","0.0003","20.8364","0.0013","90","","90","","90","","1618.8","0.17","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","HB4318","Sung, Jiha","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","IUCrData","2019","4","9","x191281","","10.1107/S2414314619012811","","","0.71073","MoKα","","0.0634","0.0366","","","0.0696","0.0883","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552369","7.8821","0.0002","11.748","0.0003","7.4169","0.0002","90","","113.906","0.001","90","","627.88","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Bromo-2-cyanopyridine","3-Bromopyridine-2-carbonitrile","","- C6 H3 Br N2 -","- C6 H3 Br N2 -","- C24 H12 Br4 N8 -","4","1","","Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke","3-Bromopyridine-2-carbonitrile","IUCrData","2019","4","10","x191326","","10.1107/S2414314619013269","","","0.71073","MoKα","","0.0169","0.016","","","0.0416","0.0422","","","","","","1.156","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552370","27.797","0.003","3.975","0.0004","14.4569","0.0015","90","","110.642","0.004","90","","1494.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","0.5","SJ4210","El Alami, Abouelhaoul; Hamid, Sdassi; El Kihel, Abdellatif; Saadi, Mohamed; El Ammari, Lahcen","3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)","IUCrData","2019","4","10","x191348","","10.1107/S2414314619013488","","","0.71073","MoKα","","0.0696","0.0504","","","0.1351","0.1482","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552478","9.5647","0.00006","11.59555","0.00008","15.6161","0.00011","90","","90","","90","","1731.95","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3 <i>Os</i>‒<i>Os</i>)","","- C12 H5 N O10 Os3 -","- C12 H5 N O10 Os3 -","- C48 H20 N4 O40 Os12 -","4","1","WM4114","Powell, Cynthia B.; Powell, Gregory L.; Archambeau, Ashley K.; Wilson, Kylie M.","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3<i>Os</i>‒<i>Os</i>)","IUCrData","2019","4","10","x191386","","10.1107/S2414314619013865","","x-ray","1.54184","CuKα","","0.0153","0.0152","","","0.0368","0.0368","","","","","","1.06","","","","has coordinates,has Fobs","225387","2020-10-21","18:00:00",""
"1552479","13.595","0.003","14.337","0.003","10.958","0.002","90","","92.23","0.03","90","","2134.2","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihydroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride","","- C23 H27 Cl N2 O2 -","- C23 H27 Cl N2 O2 -","- C92 H108 Cl4 N8 O8 -","4","1","","Okmanov, R. Ya.; Tukhtaev, D. B.; Saidov, A. Sh.; Tashkhodjaev, B.","1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihidroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride","IUCrData","2019","4","10","x191390","","10.1107/S2414314619013907","","x-ray","1.54184","CuKα","","0.0785","0.0495","","","0.1231","0.1422","","","","","","1.012","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552480","8.7319","0.0004","11.3091","0.0005","16.122","0.0007","69.599","0.003","77.168","0.004","81.042","0.004","1449.57","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","2","SJ4209","Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke","4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile","IUCrData","2019","4","10","x191369","","10.1107/S2414314619013695","","","0.71073","MoKα","","0.0633","0.0379","","","0.0868","0.0914","","","","","","0.848","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552550","16.6119","0.0005","6.83947","0.00016","22.5749","0.0006","90","","98.255","0.007","90","","2538.31","0.13","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C112 H88 Cl16 N8 O16 -","8","2","IS4037","Pal, Tarun Kumar; Alam, Md Ashraful; Hossain, Md Dulal; Paul, Subrata; Miyatake, Ryuta; Sheikh, Md Chanmiya","2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","IUCrData","2019","4","10","x191401","","10.1107/S2414314619014019","","","0.71075","MoKα","","0.0667","0.043","","","0.091","0.0995","","","","","","1.025","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552551","9.8947","0.0004","10.6554","0.0004","19.0286","0.0008","90","","90","","90","","2006.22","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","HB4321","Outahar, Fatima; Hannioui, Abdellah; Rakib, El Mostapha; Akssira, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","IUCrData","2019","4","10","x191408","","10.1107/S2414314619014081","","","0.71073","MoKα","","0.0555","0.0421","","","0.0995","0.1068","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:27",""
"1552552","9.5014","0.0015","13.801","0.002","15.834","0.003","66.375","0.004","89.911","0.004","81.735","0.004","1878.9","0.5","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)","","- C46 H48 Mg N2 O3 -","- C46 H48 Mg N2 O3 -","- C92 H96 Mg2 N4 O6 -","2","1","WM4115","Al-Masri, Harbi Tomah","Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)","IUCrData","2019","4","10","x191412","","10.1107/S2414314619014123","","","0.71073","MoKα","","0.1618","0.0866","","","0.2172","0.25","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:27",""
"1552756","10.3724","0.0004","11.1647","0.0005","14.1562","0.0005","85.454","0.003","71.125","0.004","74.999","0.004","1498.32","0.11","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate","","- C30 H29 F6 O3 P2 -","- C30 H29 F6 O3 P2 -","- C60 H58 F12 O6 P4 -","2","1","BV4025","Traver, Joseph R.; Guillet, Gary L.; Hillesheim, Patrick C.","(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate","IUCrData","2019","4","11","x191478","","10.1107/S2414314619014780","","","0.71073","MoKα","","0.1374","0.0644","","","0.1604","0.2119","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","223402","2020-10-21","18:00:00",""
"1552757","6.0338","0.0003","12.9814","0.0006","11.489","0.0005","90","","91.185","0.004","90","","899.71","0.07","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(2-nitrobenzyl)piperazine","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","HB4325","Crundwell, Hugh I.; Grimmett, Rhiannon I.; Crundwell, Guy; Westcott, Barry L.","1,4-Bis(2-nitrobenzyl)piperazine","IUCrData","2019","4","11","x191468","","10.1107/S2414314619014688","","x-ray","0.71073","MoKα","","0.0809","0.0559","","","0.1377","0.1532","","","","","","1.031","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552859","12.004","0.001","9.7942","0.0004","17.4116","0.0008","90","","107.633","0.003","90","","1950.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","","- C36 H38 Cl4 Cu2 N6 O2 -","- C36 H38 Cl4 Cu2 N6 O2 -","- C72 H76 Cl8 Cu4 N12 O4 -","2","0.5","LH4039","Naugle, Mercedes S.; Keller, Brittany T.; Zeller, Matthias; Zaleski, Curtis M.","Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","IUCrData","2018","3","8","x181186","","10.1107/S2414314618011860","","","0.71073","MoKα","","0.0448","0.0401","","","0.1036","0.1066","","","","","","1.037","","","","has coordinates,has Fobs","227673","2020-10-21","18:00:00",""
"1552860","11.7633","0.0004","12.5731","0.0004","13.7249","0.0004","87.283","0.002","75.537","0.002","67.45","0.002","1812.66","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum","","- C34 H45 Li Mo N4 O4 P2 -","- C34 H45 Li Mo N4 O4 P2 -","- C68 H90 Li2 Mo2 N8 O8 P4 -","2","1","IS4030","Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum","IUCrData","2018","3","8","x181149","","10.1107/S2414314618011495","","","0.71073","MoKα","","0.0266","0.0226","","","0.0597","0.0605","","","","","","1.029","","","","has coordinates,has Fobs","227674","2020-10-21","18:00:00",""
"1552864","8.3495","0.0008","12.5138","0.0011","18.6631","0.0017","90","","100.902","0.003","90","","1914.8","0.3","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium} but-2-enedioate tetrahydrate","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","FF4032","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Bis(4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate tetrahydrate","IUCrData","2019","4","11","x191469","","10.1107/S241431461901469X","","","0.71073","MoKα","","0.0694","0.0464","","","0.1123","0.1275","","","","","","1.052","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552865","15.0751","0.0006","7.6891","0.0004","20.7891","0.0009","90","","90","","90","","2409.75","0.19","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C96 H88 N24 O16 S8 -","8","1","IS5524","Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","IUCrData","2019","4","11","x191501","","10.1107/S2414314619015013","","","0.71073","MoKα","","0.0779","0.0628","","","0.1611","0.1728","","","","","","1.071","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552920","9.9461","0.0004","12.151","0.0005","16.8171","0.0007","105.006","0.001","94.22","0.001","104.926","0.001","1875.34","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","2","HB4323","Cabezas, Jorge A.; Fernandez, Cristian Saul Campos","Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate","IUCrData","2019","4","11","x191526","","10.1107/S2414314619015268","","","0.71073","MoKα","","0.0494","0.0361","","","0.0861","0.0928","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:28",""
"1552921","16.3881","0.0012","4.6912","0.0003","22.4928","0.0018","90","","97.512","0.007","90","","1714.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","","- C8 H7 N2 O2.5 S -","- C8 H7 N2 O2.5 S -","- C64 H56 N16 O20 S8 -","8","1","WM4116","Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","IUCrData","2019","4","11","x191532","","10.1107/S2414314619015323","","","1.54184","CuKα","","0.0704","0.0429","","","0.0995","0.1167","","","","","","1.04","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552938","14.013","0.003","5.4123","0.0011","22.901","0.005","90","","93.157","0.005","90","","1734.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","HB4324","Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Jaabil, G.; Ponnuswamy, A.; Lakshman, P. L. Nilantha","2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde","IUCrData","2019","4","11","x191525","","10.1107/S2414314619015256","","","0.71073","MoKα","","0.1418","0.0484","","","0.1317","0.1988","","","","","","0.865","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552939","13.3725","0.0017","13.3725","0.0017","40.84","0.005","90","","90","","120","","6324.7","1.4","200","2","200","2","","","","","","","","7","P 32","P 32","145","","Sodium [2-({2-[(1-carboxylato-2-methyl-2-sulfanidylpropyl)amino]ethyl}amino)-3-methyl-\ 3-sulfanidylbutanoato-κ^4^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>']indate(III) tetrahydrate","","- C12 H28 In N2 Na O8 S2 -","- C12 H28 In N2 Na O8 S2 -","- C144 H336 In12 N24 Na12 O96 S24 -","12","4","SJ4211","Yoshinari, Nobuto; Konno, Takumi","Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate","IUCrData","2019","4","11","x191529","","10.1107/S2414314619015293","","","0.71075","MoKα","","0.0474","0.0398","","","0.0719","0.076","","","","","","1.041","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:45",""
"1552940","13.7369","0.0005","13.8077","0.0005","16.4824","0.0006","78.442","0.002","68.211","0.002","80.216","0.002","2828.35","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate","","- C69 H50 Cl2 O8 S2 -","- C69 H50 Cl2 O8 S2 -","- C138 H100 Cl4 O16 S4 -","2","1","BT4084","Manickam, R.; Jagadeesan, G.; Rafiq, S. Muhamad; Mohanakrishnan, A. K.; Srinivasan, G.","5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate","IUCrData","2019","4","11","x191394","","10.1107/S2414314619013944","","","0.71073","MoKα","","0.1194","0.0529","","","0.131","0.1685","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","231082","2020-10-21","18:00:00",""
"1552941","10.139","0.003","11.35","0.003","17.815","0.005","90","","96.773","0.003","90","","2035.8","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate","","- C16 H44 D4 Mo8 N4 O30 -","- C16 H44 D4 Mo8 N4 O30 -","- C32 H88 D8 Mo16 N8 O60 -","2","0.5","LH4048","Ermert, David M.; Gembicky, Milan; Rheingold, Arnold L.","[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate","IUCrData","2019","4","11","x191536","","10.1107/S2414314619015360","","","0.71073","MoKα","","0.044","0.0318","","","0.0695","0.0741","","","","","","1.078","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1556407","7.3633","0.0013","12.0641","0.0016","8.9185","0.0019","90","","103.738","0.013","90","","769.6","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1-Nitro-4-(1-propyn-1-yl)benzene","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","0.5","HB4327","Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge","1-Nitro-4-(1-propyn-1-yl)benzene","IUCrData","2019","4","11","x191585","","10.1107/S2414314619015852","","","1.54178","CuKα","","0.0733","0.0569","","","0.1599","0.1785","","","","","","1.13","","","","has coordinates,has Fobs","244834","2020-10-21","18:00:00",""
"1556408","6.2991","0.0005","6.2991","0.0005","11.4659","0.001","90","","90","","90","","454.95","0.06","100","","100","","","","","","","","","3","I 4/m c m","-I 4 2c","140","Rubidium tetrafluoridobromate(III)","Rubidium tetrafluoridobromate(III)","","- Br F4 Rb -","- Br F4 Rb -","- Br4 F16 Rb4 -","4","0.125","WM4118","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data","IUCrData","2019","4","11","x191595","","10.1107/S2414314619015955","","","0.71073","MoKα","","0.0507","0.0203","","","0.0327","0.0378","","","","","","1.064","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:46",""
"1556637","9.0277","0.0006","19.9356","0.0013","9.4811","0.0007","90","","116.169","0.002","90","","1531.43","0.18","173","2","173","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","1,1,3,3-Tetraethyl-5-nitroisoindoline","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","RZ4034","Tapmeyer, Lukas; Beske, Maurice; Plackmeyer, Jörn","1,1,3,3-Tetraethyl-5-nitroisoindoline","IUCrData","2019","4","12","x191629","","10.1107/S2414314619016298","","","1.54178","CuKα","","0.052","0.0512","","","0.1336","0.1344","","","","","","1.086","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:35",""
"1556638","9.9355","0.0005","17.025","0.001","9.7743","0.0006","90","","116.107","0.001","90","","1484.66","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]","","- C9 H11 Mn N5 S3 -","- C9 H11 Mn N5 S3 -","- C36 H44 Mn4 N20 S12 -","4","1","RZ4036","Peppel, Tim; Köckerling, Martin","Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]","IUCrData","2019","4","12","x191659","","10.1107/S2414314619016596","","","0.71073","MoKα","","0.0405","0.0271","","","0.0605","0.0653","","","","","","0.998","","","","has coordinates,has Fobs","245314","2020-10-21","18:00:00",""
"1556639","7.0679","0.0002","9.6856","0.0004","12.151","0.0005","101.56","0.003","93.302","0.003","111.27","0.004","751.66","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","HB4326","Loke, Shiva Krishna; Pagadala, Eswar; Kottalanka, Ravi K.","5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)","IUCrData","2019","4","12","x191660","","10.1107/S2414314619016602","","","0.71073","MoKα","","0.0642","0.0498","","","0.132","0.1422","","","","","","1.032","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:35",""
"1556702","17.0353","0.0013","18.7759","0.0014","25.4659","0.0018","90","","90","","90","","8145.3","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","","- C42 H38 F4 N8 Ni O8 -","- C42 H38 F4 N8 Ni O8 -","- C336 H304 F32 N64 Ni8 O64 -","8","1","","Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","IUCrData","2019","4","12","x191688","","10.1107/S2414314619016882","","","0.71073","MoKα","","0.0432","0.0347","","","0.0989","0.1094","","","","","","1.008","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:35",""
"1556734","17.7619","0.0005","12.7435","0.0004","28.2194","0.0008","90","","102.478","0.002","90","","6236.5","0.3","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H24 Br2 Cl2 N2 O -","- C31 H24 Br2 Cl2 N2 O -","- C248 H192 Br16 Cl16 N16 O8 -","8","1","HB4331","Devika, S.; Shraddha, K. N.; Begum, Noor Shahina","2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2019","4","12","x191672","","10.1107/S2414314619016729","","","0.71073","MoKα","","0.0707","0.0636","","","0.2299","0.2393","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:35",""
"1556848","14.4124","0.0007","14.9172","0.0006","15.1412","0.0006","90","","100.377","0.001","90","","3202","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C16 H20 N2 O2 S -","- C16 H20 N2 O2 S -","- C128 H160 N16 O16 S8 -","8","2","HB4170","R, Shashi; Begum, Noor Shahina","Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","IUCrData","2017","2","10","x171440","","10.1107/S2414314617014407","","","0.71073","MoKα","","0.0767","0.0494","","","0.1235","0.1464","","","","","","0.782","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:36",""
"1556895","12.4008","0.0005","13.8892","0.0007","25.2321","0.0011","90","","100.991","0.003","90","","4266.2","0.3","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV)","","- C42 H19 F16 Os P S4 -","- C42 H19 F16 Os P S4 -","- C168 H76 F64 Os4 P4 S16 -","4","1","ZL4036","Zeleny, Paulina; Arroyo, Maribel; Meléndez, Lidia; Bernès, Sylvain","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV): a monoclinic polymorph","IUCrData","2019","4","12","x191622","","10.1107/S2414314619016225","","x-ray","0.56083","AgKα","","0.104","0.0446","","","0.0807","0.0917","","","","","","0.795","","","","has coordinates,has Fobs","246423","2020-10-21","18:00:00",""
"1556896","25.1072","0.0005","8.8634","0.0002","21.3401","0.0004","90","","112.444","0.0012","90","","4389.2","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate","","- C52 H50 O8 P2 -","- C52 H50 O8 P2 -","- C208 H200 O32 P8 -","4","1","RZ4035","Leidecker, Benedict N.; Kubis, Christoph; Spannenberg, Anke; Franke, Robert; Börner, Armin","6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate","IUCrData","2019","4","12","x191636","","10.1107/S2414314619016365","","","1.54178","CuKα","","0.0619","0.04","","","0.0946","0.1066","","","","","","1.011","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:36",""
"1556897","13.5979","0.0007","7.3148","0.0003","12.5931","0.0006","90","","112.763","0.005","90","","1155.02","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","HB4328","Alicea-Velázquez, Nilda L.; Crundwell, Guy","(<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine","IUCrData","2019","4","12","x191601","","10.1107/S2414314619016018","","x-ray","0.71073","MoKα","","0.0576","0.0446","","","0.1125","0.1227","","","","","","1.067","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:36",""
"1556898","10.519","0.005","22.059","0.005","11.246","0.005","90","0.005","97.867","0.005","90","0.005","2584.9","1.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C29 H26 Cl N O4 -","- C29 H26 Cl N O4 -","- C116 H104 Cl4 N4 O16 -","4","1","HB4329","Ameen, K. K. Mohammed; Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2019","4","12","x191644","","10.1107/S2414314619016444","","","0.71073","MoKα","","0.1133","0.0604","","","0.1619","0.1919","","","","","","1.055","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:36",""
"1556953","13.7822","0.0006","10.7752","0.0004","27.0787","0.0013","90","","99.901","0.004","90","","3961.5","0.3","120","2","120","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","","- C24 H16 Cl4 -","- C24 H16 Cl4 -","- C192 H128 Cl32 -","8","1","BT4083","Detert, Heiner; Schollmeyer, Dieter","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","IUCrData","2019","4","2","x190236","","10.1107/S2414314619002360","","","0.71073","MoKα","","0.0481","0.0387","","","0.0953","0.1023","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","274690","2022-04-26","14:34:51",""
"1557175","8.127","0.007","8.411","0.009","12.536","0.01","105.36","0.04","96.52","0.02","94.77","0.03","815.2","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C16 H21 N3 O4 -","- C16 H21 N3 O4 -","- C32 H42 N6 O8 -","2","1","BT4088","Yoo, Miri; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2020","5","1","x200034","","10.1107/S2414314620000346","","","0.71073","MoKα","","0.0621","0.0488","","","0.1318","0.142","","","","","","1.059","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557176","13.209","0.007","6.343","0.003","27.08","0.014","90","","103.356","0.008","90","","2207.5","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","","- C25 H22 N2 O2 Se -","- C25 H22 N2 O2 Se -","- C100 H88 N8 O8 Se4 -","4","1","BV4028","Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","IUCrData","2020","5","1","x200078","","10.1107/S2414314620000784","","","0.71073","MoKα","","0.0797","0.0412","","","0.0937","0.1076","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:37",""
"1557177","7.484","0.001","8.587","0.001","18.523","0.002","83.782","0.004","81.868","0.004","71.189","0.004","1113","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","1","0.5","WM4120","Giltzau, Niels Ole; Köckerling, Martin","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","IUCrData","2020","5","1","x200023","","10.1107/S2414314620000231","","","0.71073","MoKα","","0.0932","0.0489","","","0.0927","0.1064","","","","","","1.043","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557178","15.5801","0.0012","8.3414","0.0006","12.1298","0.0008","90","","97.086","0.003","90","","1564.35","0.19","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 F O5 -","- C18 H17 F O5 -","- C72 H68 F4 O20 -","4","1","LH4051","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","1","x200071","","10.1107/S2414314620000711","","","0.71073","MoKα","","0.0856","0.0475","","","0.107","0.1246","","","","","","1.013","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557208","29.1537","0.0009","8.8739","0.0003","19.9919","0.0006","90","","123.621","0.001","90","","4306.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-Phenylenediammonium bis(p-toluenesulfonate)","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C160 H192 N16 O48 S16 -","8","1","BV4029","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","IUCrData","2020","5","1","x200100","","10.1107/S2414314620001005","","","0.71073","MoKα","","0.0674","0.0399","","","0.1028","0.1263","","","","","","1.074","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557209","5.5075","0.0003","6.789","0.0003","12.2572","0.0006","90","","90","","90","","458.3","0.04","100","","100","","","","","","","","","3","I m m m","-I 2 2","71","Caesium tetrafluoridobromate(III)","Caesium tetrafluoridobromate(III)","","- Br Cs F4 -","- Br Cs F4 -","- Br4 Cs4 F16 -","4","0.25","WM4121","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data","IUCrData","2020","5","1","x200114","","10.1107/S2414314620001145","","","0.71073","MoKα","","0.0151","0.0119","","","0.0212","0.0217","","","","","","1.119","","","","has coordinates,has Fobs","247896","2020-10-21","18:00:00",""
"1557210","7.0481","0.0003","18.2185","0.0008","12.6391","0.0006","90","","104.947","0.004","90","","1568.02","0.12","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C19 H13 I O2 -","- C19 H13 I O2 -","- C76 H52 I4 O8 -","4","1","HB4334","Dean, Raven; Miller, Chelsea N.; Zingales, Sarah K.; Padgett, Clifford W.","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","1","x200110","","10.1107/S2414314620001108","","","0.71073","MoKα","","0.0863","0.0451","","","0.0819","0.0962","","","","","","1.123","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557252","9.0627","0.0006","10.7595","0.0008","24.4636","0.0019","90","","100.599","0.003","90","","2344.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","","- C29 H23 Cl N2 O -","- C29 H23 Cl N2 O -","- C116 H92 Cl4 N8 O4 -","4","1","ZL4037","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","IUCrData","2020","5","1","x191690","","10.1107/S2414314619016900","","","0.71073","MoKα","","0.0699","0.047","","","0.1087","0.1287","","","","","","1.029","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557264","8.8341","0.0004","24.3932","0.0009","11.6111","0.0005","90","","108.086","0.002","90","","2378.47","0.17","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydronium bis(trifluoromethanesulfonyl)amide–18-crown-6 (1/1)","","- C14 H27 F6 N O11 S2 -","- C14 H27 F6 N O11 S2 -","- C56 H108 F24 N4 O44 S8 -","4","2","IS4042","Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki","Hydronium bis(trifluoromethanesulfonyl)amide–18-crown-6 (1/1)","IUCrData","2020","5","2","x200162","","10.1107/S2414314620001625","","","0.71073","MoKα","","0.064","0.0624","","","0.161","0.162","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:37",""
"1557302","8.7438","0.0001","18.7561","0.0002","20.8005","0.0002","90","","90","","90","","3411.27","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C160 H144 N32 O16 -","8","1","WM4125","Powell, Gregory L.; Rix, Brad A.","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","IUCrData","2020","5","2","x200121","","10.1107/S2414314620001212","","x-ray","1.54184","CuKα","","0.0455","0.0418","","","0.1086","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557303","9.1617","0.0009","19.233","0.003","13.0065","0.0013","90","","91.136","0.008","90","","2291.4","0.5","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicaesium tetramagnesium pentakis(carbonate) decahydrate","","- C5 H20 Cs2 Mg4 O25 -","- C5 H20 Cs2 Mg4 O25 -","- C20 H80 Cs8 Mg16 O100 -","4","1","WM4122","Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang","Dicaesium tetramagnesium pentakis(carbonate) decahydrate, Cs2Mg4(CO3)5·10H2O","IUCrData","2020","5","2","x200165","","10.1107/S2414314620001650","","","0.71073","MoKα","","0.0895","0.0731","","","0.2175","0.2742","","","","","","1.221","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:46",""
"1557304","4.1658","0.0002","10.4706","0.0006","12.7624","0.0007","90","","95.958","0.002","90","","553.67","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","BV4026","Siegel, David J.; Howarth, Alexis N.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","IUCrData","2020","5","2","x200171","","10.1107/S2414314620001716","","","0.71073","MoKα","","0.0492","0.0409","","","0.0949","0.1002","","","","","","1.06","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557305","11.076","0.002","11.076","0.002","16.478","0.003","90","","90","","90","","2021.5","0.6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","IS4040","Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","IUCrData","2020","5","2","x200143","","10.1107/S2414314620001431","","","0.71073","MoKα","","0.0828","0.0328","","","0.0685","0.0834","","","","","","0.886","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557306","5.5457","0.0006","9.1108","0.001","43.511","0.006","90","","90.376","0.005","90","","2198.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Octadecylsulfanyl)-1,3-thiazole","","- C21 H39 N S2 -","- C21 H39 N S2 -","- C84 H156 N4 S8 -","4","2","BV4027","Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2-(Octadecylsulfanyl)-1,3-thiazole","IUCrData","2020","5","2","x200170","","10.1107/S2414314620001704","","","1.54178","CuKα","","0.1015","0.0967","","","0.2546","0.263","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557320","9.6598","0.0004","7.4249","0.0003","11.2457","0.0006","90","","109.745","0.005","90","","759.15","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Nitro-2,3-bis(thien-2-yl)quinoxaline","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C32 H18 N6 O4 S4 -","2","1","FF4033","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200196","","10.1107/S2414314620001960","","","0.71073","MoKα","","0.0777","0.0377","","","0.0696","0.0764","","","","","","0.807","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557321","11.7649","0.0004","5.3386","0.0002","24.3536","0.0008","90","","105.61","0.003","90","","1473.18","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Nitro-2,3-bis(thien-2-yl)quinoxaline","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C64 H36 N12 O8 S8 -","4","1","FF4034","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200203","","10.1107/S2414314620002035","","","0.71073","MoKα","","0.0994","0.0624","","","0.1848","0.1988","","","","","","1.06","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557368","21.55","0.0008","6.0366","0.0002","27.4915","0.0009","90","","92.111","0.001","90","","3573.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methoxyphenyl)naphthalene","","- C24 H20 O2 -","- C24 H20 O2 -","- C192 H160 O16 -","8","2","TK4061","Manickam, R.; Jagadeesan, G.; Karunakaran, J.; Srinivasan, G.","1,4-Bis(4-methoxyphenyl)naphthalene","IUCrData","2020","5","2","x200212","","10.1107/S2414314620002126","","","0.71073","MoKα","","0.1554","0.0773","","","0.1995","0.2814","","","","","","1.019","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557369","14.6392","0.0005","5.7111","0.0002","17.5295","0.0006","90","","102.349","0.001","90","","1431.66","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 4-methylbenzenesulfonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","HB4337","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","2-Aminoanilinium 4-methylbenzenesulfonate","IUCrData","2020","5","2","x200230","","10.1107/S2414314620002308","","","0.71073","MoKα","","0.0628","0.0424","","","0.1099","0.1271","","","","","","1.062","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557370","10.2628","0.0006","20.5653","0.0013","13.3923","0.0008","90","","111.638","0.0015","90","","2627.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","","- C26 H34 O4 Si2 -","- C26 H34 O4 Si2 -","- C104 H136 O16 Si8 -","4","1","BT4089","Weil, Matthias; Kremsmayr, Thomas; Mihovilovic, Marko D.","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","IUCrData","2020","5","2","x200224","","10.1107/S2414314620002242","","","0.71073","MoKα","","0.0591","0.0408","","","0.0955","0.1042","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:37",""
"1557413","13.949","0.0009","4.9891","0.0003","17.3647","0.0011","90","","105.693","0.004","90","","1163.42","0.13","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Bis(2-oxopropyl)thymine","5-Methyl-1,3-bis(2-oxopropyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","ZQ4039","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Soares, Fábio da Paixão","1,3-Bis(2-oxopropyl)thymine","IUCrData","2020","5","2","x200257","","10.1107/S2414314620002576","","","0.71073","MoKα","","0.0621","0.042","","","0.0931","0.103","","","","","","1.027","","","","has coordinates,has Fobs","248570","2020-10-21","18:00:00",""
"1557414","14.7455","0.001","11.9504","0.0008","11.9649","0.0008","90","","101.898","0.002","90","","2063.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","","- C25 H19 N O7 -","- C25 H19 N O7 -","- C100 H76 N4 O28 -","4","1","HB4338","Lough, Alan J.; Ho, Angel; Tam, William","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","IUCrData","2020","5","2","x200265","","10.1107/S2414314620002655","","","0.71073","MoKα","","0.0617","0.0359","","","0.0821","0.093","","","","","","1.011","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557436","18.02","0.001","18.742","0.001","19.74","0.001","90","","90","","90","","6666.8","0.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)","","- C30 H46 Br4 Mn N4 -","- C30 H46 Br4 Mn N4 -","- C240 H368 Br32 Mn8 N32 -","8","1","WM4124","Giltzau, Niels Ole; Köckerling, Martin","Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)","IUCrData","2020","5","3","x200261","","10.1107/S2414314620002618","","","0.71073","MoKα","","0.041","0.0269","","","0.0581","0.0661","","","","","","1.207","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:47",""
"1557516","9.4559","0.0003","12.8405","0.0004","8.9638","0.0003","90","","111.445","0.001","90","","1013.02","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","1","HB4340","Lough, Alan J.; Pounder, Austin; Wicks, Christopher; Tam, William","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","IUCrData","2020","5","3","x200288","","10.1107/S2414314620002886","","","0.71073","MoKα","","0.0413","0.035","","","0.093","0.0996","","","","","","1.065","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557517","9.3106","0.0011","8.7232","0.0008","13.4776","0.0012","90","","91.959","0.008","90","","1093.99","0.19","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Nonacyclo[9.7.7.7^2,10^.0^1,11^.0^2,10^.0^3,8^.0^12,17^.0^19,24^.0^26,31^]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene","","- C32 H24 -","- C32 H24 -","- C64 H48 -","2","0.5","RZ4037","Detert, Heiner; Jacobs, Nina; Schollmeyer, Dieter","The head-to-head photodimer of indenoindene","IUCrData","2020","5","3","x200307","","10.1107/S2414314620003077","","","0.71073","MoKα","","0.1164","0.0607","","","0.1665","0.196","","","","","","0.973","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557518","9.4802","0.0003","14.9824","0.0007","18.6565","0.0007","90","","90","","90","","2649.9","0.18","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","HB4339","Lough, Alan J.; Pounder, Austin; Tam, William","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","IUCrData","2020","5","3","x200286","","10.1107/S2414314620002862","","","0.71073","MoKα","","0.0511","0.0382","","","0.0918","0.1006","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557519","16.7781","0.0017","16.3902","0.0018","4.7894","0.0005","90","","90","","90","","1317.1","0.2","293","1","293","1","","","","","","","","4","P m n 21","P 2ac -2","31","","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","0.5","GG4004","Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","IUCrData","2020","5","3","x200281","","10.1107/S2414314620002813","","x-ray","0.71073","MoKα","","0.0928","0.048","","","0.0843","0.1007","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","249121","2020-10-21","18:00:00",""
"1557573","12.2712","0.0007","11.2934","0.0006","10.8984","0.0007","90","","112.565","0.002","90","","1394.71","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","HB4341","Lough, Alan J.; Koh, Samuel; Tam, William","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","IUCrData","2020","5","3","x200315","","10.1107/S2414314620003156","","","0.71073","MoKα","","0.0643","0.0396","","","0.0944","0.1099","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557611","9.942","0.002","22.986","0.005","26.512","0.005","90","","90","","90","","6059","2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","24,27-Dibenzyl-15,18-bis(butan-2-yl)-12,21-bis(2-methylpropyl)-9-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^3,7^]tritriacontane-2,8,11,14,17,20,23,26,29-nonone dimethyl sulfoxide monosolvate","","- C59 H90 N9 O10 S -","- C59 H90 N9 O10 S -","- C236 H360 N36 O40 S4 -","4","1","LH4052","Purdy, Sarah Kendra; Spasyuk, Denis; Chitanda, Jackson Mulenga; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","IUCrData","2020","5","3","x200318","","10.1107/S2414314620003181","","","0.68882","synchrotron","","0.0446","0.0394","","","0.0977","0.1006","","","","","","1.038","","","","has coordinates,has Fobs","249390","2020-10-21","18:00:00",""
"1557612","9.434","0.0019","17.134","0.004","8.826","0.0018","90","","105.01","0.04","90","","1378","0.6","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","BH4051","Tojiboev, Akmal; Nasrullaev, Azizbek; Turgunov, Kambarali; Elmuradov, Burkhan; Tashkhodjaev, Bakhodir","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","IUCrData","2020","5","3","","","10.1107/S2414314620003569","","","1.54184","CuKα","","0.052","0.0445","","","0.1177","0.123","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557619","7.2285","0.0005","7.2385","0.0005","13.7586","0.0011","102.192","0.007","99.616","0.006","104.149","0.006","663.91","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","","- C14 H11 Cl N2 O2 S -","- C14 H11 Cl N2 O2 S -","- C28 H22 Cl2 N4 O4 S2 -","2","1","HB4342","Narayan, Easha; Fu, Liangfeng; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","IUCrData","2020","5","3","x200382","","10.1107/S241431462000382X","","","1.54184","CuKα","","0.0485","0.043","","","0.1069","0.1144","","","","","","1.041","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557620","7.0953","0.0008","8.931","0.0008","18.219","0.002","90","","95.49","0.009","90","","1149.2","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","","- C30 H22 N4 -","- C30 H22 N4 -","- C60 H44 N8 -","2","0.5","BT4090","Detert, Heiner; Jochem, Matthias; Schollmeyer, Dieter","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","IUCrData","2020","5","3","x200372","","10.1107/S2414314620003727","","","0.71073","MoKα","","0.0838","0.0434","","","0.0989","0.1104","","","","","","0.989","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557683","10.7335","0.0009","12.4005","0.001","7.9206","0.0006","90","","93.654","0.004","90","","1052.09","0.15","446","2","446","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","HB4343","Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","IUCrData","2020","5","3","x200385","","10.1107/S2414314620003855","","","0.71073","MoKα","","0.0688","0.0495","","","0.1522","0.1795","","","","","","1.156","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557697","6.1631","0.0006","19.253","0.002","18.0743","0.0019","90","","96.83","0.001","90","","2129.4","0.4","100","2","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1',2-tris(methylcarboxyphenyl)ethene","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","1","ZL4040","Lesley, Melvin J. G.; Ozhan, Koray; Sung, Herman H.-Y.; Williams, Ian D.","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","IUCrData","2020","5","3","x200417","","10.1107/S2414314620004174","","","0.71073","MoKα","","0.0569","0.048","","","0.1185","0.1246","","","","","","1.021","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557751","14.6285","0.0004","29.9816","0.0007","20.5191","0.0005","90","","94.548","0.007","90","","8971","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 N7 O18 V7 -","- C66 H94 N7 O18 V7 -","- C264 H376 N28 O72 V28 -","4","1","IS4043","Kodama, Shintaro; Kondo, Shota; Nomoto, Akihiro; Ogawa, Akiya","Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)(<i>trans</i>-4-<i>tert</i>-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium acetonitrile monosolvate including another unknown solvent molecule","IUCrData","2020","5","4","x200449","","10.1107/S2414314620004496","","","0.71075","MoKα","","0.0956","0.0738","","","0.1891","0.2017","","","","","","1.015","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557752","8.7612","0.0008","13.1852","0.0013","16.4458","0.0019","90","","94.4","0.009","90","","1894.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]","","- C12 H16 Cu2 I2 N2 S4 -","- C12 H16 Cu2 I2 N2 S4 -","- C48 H64 Cu8 I8 N8 S16 -","4","1","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer","IUCrData","2020","5","4","x200467","","10.1107/S2414314620004678","","","0.71073","MoKα","","0.045","0.0359","","","0.0783","0.0837","","","","","","1.161","","","","has coordinates,has Fobs","250495","2020-10-21","18:00:00",""
"1557753","5.3009","0.0008","8.625","0.0012","10.6976","0.0014","90","","91.146","0.005","90","","489","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","","- C6 H6 F8 O4 -","- C6 H6 F8 O4 -","- C12 H12 F16 O8 -","2","1","LH4054","Feightner, Kylie; Powell, Douglas R.; Burba, Christopher M.","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","IUCrData","2020","5","4","x200445","","10.1107/S2414314620004459","","","0.71073","MoKα","","0.0389","0.0379","","","0.0982","0.0998","","","","","","1.001","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557817","6.1444","0.0006","12.8514","0.0013","19.3315","0.0019","90","","91.626","0.003","90","","1525.9","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>-Diallyl-5-methoxytryptamine","<i>N</i>-[2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-(prop-2-en-1-yl)prop-2-en-1-amine","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","BX4017","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","5-MeO-DALT: the freebase of N,N-diallyl-5-methoxytryptamine","IUCrData","2020","5","4","x200498","","10.1107/S2414314620004988","","","0.71073","MoKα","","0.0598","0.0408","","","0.0941","0.1057","","","","","","1.05","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557847","16.7588","0.0004","23.4597","0.0005","8.7769","0.0002","90","","98.771","0.001","90","","3410.34","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","","- C20 H21 N O -","- C20 H21 N O -","- C160 H168 N8 O8 -","8","1","HB4345","Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S.","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","IUCrData","2020","5","4","x200526","","10.1107/S241431462000526X","","","0.71073","MoKα","","0.1723","0.0797","","","0.1648","0.2005","","","","","","1.03","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557980","13.93535","0.00018","13.93535","0.00018","13.1629","0.0003","90","","90","","90","","2556.16","0.07","293","2","293","2","","","","","","","","3","I -4","I -4","82","2,3-Diethylbenzo[g]quinoxaline","2,3-Diethylbenzo[<i>g</i>]quinoxaline","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","HB4346","Crundwell, Guy; Leeds, Ashley","2,3-Diethylbenzo[<i>g</i>]quinoxaline","IUCrData","2020","5","4","x200454","","10.1107/S241431462000454X","","x-ray","0.71073","MoKα","","0.0627","0.0477","","","0.1256","0.136","","","","","","1.037","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557981","6.383","0.008","12.498","0.015","12.814","0.016","68.718","0.011","86.988","0.012","81.397","0.012","942","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H40 N2 -","- C52 H40 N2 -","- C52 H40 N2 -","1","0.5","","Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou","2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline","IUCrData","2020","5","4","x200531","","10.1107/S2414314620005313","","","0.71073","MoKα","","0.1092","0.0595","","","0.1303","0.1582","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558035","4.8774","0.0013","9.47","0.003","12.719","0.003","106.784","0.007","97.222","0.007","92.444","0.008","556.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","XU4040","Yu, MingChao; Wang, LinLin; Wang, LingYang; Wu, ZhiYong","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","IUCrData","2020","5","5","x200603","","10.1107/S2414314620006033","","","0.71073","MoKα","","0.0608","0.0487","","","0.1264","0.1375","","","","","","1.063","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558091","6.3076","0.0004","9.549","0.0006","11.3951","0.0008","90","","90","","90","","686.34","0.08","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","","- C5 H9 Cl N2 -","- C5 H9 Cl N2 -","- C20 H36 Cl4 N8 -","4","1","BV4030","Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C.","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","IUCrData","2020","5","5","x200660","","10.1107/S2414314620006604","","","0.71073","MoKα","","0.0213","0.0194","","","0.0489","0.0499","","","","","","1.107","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558159","16.9376","0.0006","13.144","0.0004","10.6399","0.0004","90","","92.891","0.004","90","","2365.72","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","","- C25 H18 Cl F2 N5 S -","- C25 H18 Cl F2 N5 S -","- C100 H72 Cl4 F8 N20 S4 -","4","1","ZL4041","Alanazi, Saud A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","IUCrData","2020","5","5","x200700","","10.1107/S2414314620007002","","","0.71073","MoKα","","0.0955","0.0484","","","0.1036","0.1252","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","252489","2020-10-21","18:00:00",""
"1558160","10.882","0.0006","8.4029","0.0004","18.9678","0.0011","90","","95.44","0.002","90","","1726.61","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate; 1,2-dimethyl-1<i>H</i>-imidazole","","- C16 H22 N4 O3 S -","- C16 H22 N4 O3 S -","- C64 H88 N16 O12 S4 -","4","1","BV4031","Cyr, Noah; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1<i>H</i>-imidazole co-crystal","IUCrData","2020","5","5","x200689","","10.1107/S2414314620006896","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0945","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:38",""
"1558161","10.2564","0.0007","6.5369","0.0005","10.9683","0.0009","90","","95.067","0.007","90","","732.5","0.1","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","Dipropylammonium 4-aminobenzenesulfonate","Dipropylazanium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C24 H44 N4 O6 S2 -","2","1","HB4347","Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François","Dipropylammonium 4-aminobenzenesulfonate","IUCrData","2020","5","5","x200659","","10.1107/S2414314620006598","","","0.71073","MoKα","","0.047","0.0388","","","0.0895","0.0966","","","","","","1.172","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558281","10.907","0.0008","18.8993","0.0014","21.6608","0.0015","90","","90","","90","","4465","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium bromide","","- C11 H13 Br N2 -","- C11 H13 Br N2 -","- C176 H208 Br16 N32 -","16","2","IM4007","Peppel, Tim; Wulf, Christoph; Spannenberg, Anke","1-Benzyl-3-methylimidazolium bromide","IUCrData","2020","5","6","x200768","","10.1107/S2414314620007683","","","0.71073","MoKα","","0.0277","0.0203","","","0.0481","0.0509","","","","","","1.027","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558316","7.7611","0.0004","7.2894","0.0004","24.0331","0.0013","90","","93.5573","0.0012","90","","1357.02","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1 JSloop","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","BT4094","Encarnacion-Thomas, Elvia; Sommer, Roger D.; Mallia, Ajay; Sloop, Joseph","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","IUCrData","2020","5","6","x200759","","10.1107/S2414314620007592","","","0.71073","MoKα","","0.0612","0.0437","","","0.1136","0.1232","","","","","","1.023","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558329","5.5734","0.0004","9.2537","0.0009","14.2547","0.0012","91.995","0.007","99.103","0.006","95.567","0.007","721.56","0.11","296","1","296","1","","","","","","","","5","P 1","P 1","1","","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","1","1","BX4018","Amaro Hernández, Aldo Guillermo; Rodríguez Tzompantzi, Tomasa; Dávila García, Álvaro; Meza-León, Rosa Luisa; Bernès, Sylvain","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","IUCrData","2020","5","6","x200788","","10.1107/S2414314620007889","","x-ray","0.56083","AgKα","","0.0606","0.0476","","","0.1275","0.1344","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:38",""
"1558330","9.9641","0.0009","10.2338","0.0009","23.541","0.002","90","","100.086","0.002","90","","2363.4","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-{4,6-dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","","- C28 H28 O6 -","- C28 H28 O6 -","- C112 H112 O24 -","4","1","HB4350","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-3-{4,6-Dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","6","x200792","","10.1107/S2414314620007920","","","0.71073","MoKα","","0.1078","0.0458","","","0.0887","0.1121","","","","","","0.883","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558379","7.2747","0.0005","10.4927","0.0008","16.356","0.0012","97.735","0.002","102.84","0.002","102.607","0.002","1165.71","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[aqua(2,2'-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","1","0.5","HB4348","Srinivasan, Bikshandarkoil R.; Harmalkar, Sarvesh S.; D'Souza, Luann R.; Dhuri, Sunder N.","Di-μ-aqua-bis[aqua(2,2′-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","IUCrData","2020","5","6","x200796","","10.1107/S2414314620007968","","","0.71073","MoKα","","0.0289","0.0251","","","0.0614","0.0637","","","","","","1.052","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558437","5.8686","0.0002","7.4955","0.0003","15.2792","0.0005","102.195","0.002","90.649","0.002","90.454","0.002","656.86","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","VM4044","Arunkumar, Dandavathi; Samshuddin, Seranthimata; Ansar, Mhammed; Mague, Joel T.; Ramli, Youssef","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","IUCrData","2020","5","6","x200800","","10.1107/S2414314620008007","","","1.54178","CuKα","","0.0669","0.0593","","","0.1785","0.188","","","","","","1.085","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558456","16.01","0.0014","12.5361","0.0011","16.3086","0.0018","90","","90.041","0.008","90","","3273.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","","- C30 H39 B I3 N2 -","- C30 H39 B I3 N2 -","- C120 H156 B4 I12 N8 -","4","1","HB4351","Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","IUCrData","2020","5","6","x200863","","10.1107/S2414314620008639","","","0.71073","MoKα","","0.1191","0.0944","","","0.2575","0.2669","","","","","","1.134","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558561","34.176","0.007","6.3699","0.0013","26.382","0.005","90","","123.428","0.006","90","","4793.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","","- C56 H20 F20 N4 Zn -","- C56 H20 F20 N4 Zn -","- C224 H80 F80 N16 Zn4 -","4","0.5","","Lin, Zeyuan; Li, Jianfeng","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","IUCrData","2020","5","7","x200877","","10.1107/S2414314620008779","","","0.71073","MoKα","","0.0454","0.0342","","","0.1095","0.1192","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","254207","2020-10-21","18:00:00",""
"1558562","9.74134","0.00005","9.83313","0.00004","14.91737","0.00006","90","","98.2662","0.0004","90","","1414.06","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","","- C16 H14 F N O3 -","- C16 H14 F N O3 -","- C64 H56 F4 N4 O12 -","4","2","WM4133","Lee, Kathleen S.; Turner, Luke; Powell, Cynthia B.; Reinheimer, Eric W.","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","IUCrData","2020","5","7","x200897","","10.1107/S2414314620008974","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0785","0.079","","","","","","1.054","","","","has coordinates,has disorder","301780","2025-08-18","21:43:39",""
"1558563","8.996","0.0018","15.921","0.003","18.297","0.004","90","","102.59","0.03","90","","2557.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","HB4349","Jiang, Hong; Li, Yu-Long; Zhou, Jin; Sun, Hong-Shun; Zhang, Qing-Yu; Shi, Xing-Hao; Zhang, Zhi-Yuan; Ling, Tian","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2020","5","7","x200912","","10.1107/S2414314620009128","","","0.71073","MoKα","","0.3412","0.1426","","","0.2527","0.3063","","","","","","1.296","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558564","5.7173","0.0017","7.346","0.003","12.436","0.004","90","","93.07","0.03","90","","521.6","0.3","295","2","295.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","1","HB4353","Linkova, Elena I.; Grinev, Vyacheslav S.; Mayorova, Oksana A.; Yegorova, Alevtina Yu.","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","IUCrData","2020","5","7","x200919","","10.1107/S2414314620009190","","x-ray","0.71073","MoKα","","0.0937","0.054","","","0.123","0.1596","","","","","","1.061","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558565","7.2994","0.0002","9.6105","0.0003","23.9296","0.0008","90","","90","","90","","1678.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","ZQ4040","Devika, S.; Begum, Noor Shahina; Manjappa, Kiran B.; Yang, Ding-Yah","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","IUCrData","2020","5","7","x200857","","10.1107/S2414314620008573","","","0.71073","MoKα","","0.0481","0.0377","","","0.0823","0.0876","","","","","","1.103","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558619","18.75","0.0002","15.8889","0.0002","27.5984","0.0003","90","","90","","90","","8222.03","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Os3(CO)8(PTA)4","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","","- C32 H48 N12 O8 Os3 P4 -","- C32 H48 N12 O8 Os3 P4 -","- C256 H384 N96 O64 Os24 P32 -","8","1","WM4135","Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","IUCrData","2020","5","7","x200935","","10.1107/S2414314620009359","","","1.54184","CuKα","","0.039","0.0321","","","0.0743","0.0761","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","254397","2020-10-21","18:00:00",""
"1558620","55.051","0.017","3.8355","0.0011","35.979","0.012","90","","125.214","0.006","90","","6207","3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","","- C17 H10 Br Cl2 N O2 -","- C17 H10 Br Cl2 N O2 -","- C272 H160 Br16 Cl32 N16 O32 -","16","2","VM4045","Mayorova, Oksana A.; Grinev, Vyacheslav S.; Yegorova, Alevtina Yu.","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","IUCrData","2020","5","7","x200937","","10.1107/S2414314620009372","","","0.71073","MoKα","","0.1574","0.0919","","","0.1931","0.22","","","","","","1.057","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558621","23.6627","0.0012","23.6627","0.0012","10.9815","0.0006","90","","90","","120","","5325","0.5","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","","- C93 H138 I Mo3 N3 S13 -","- C93 H138 I Mo3 N3 S13 -","- C186 H276 I2 Mo6 N6 S26 -","2","0.333333","PK4027","Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P.","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","IUCrData","2020","5","7","x200939","","10.1107/S2414314620009396","","","0.71073","MoKα","","0.0427","0.0366","","","0.1004","0.1036","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","254399","2020-10-21","18:00:00",""
"1558656","12.6825","0.0008","8.3355","0.0005","7.2205","0.0005","90","","120.444","0.003","90","","658.07","0.08","302","2","302","2","","","","","","","","4","C 1 2 1","C 2y","5","","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]]","","- C8 H12 Cu3 N5 -","- C8 H12 Cu3 N5 -","- C16 H24 Cu6 N10 -","2","0.5","PK4028","Corfield, Peter W. R.; Stavola, Thomas James","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid","IUCrData","2020","5","7","x200968","","10.1107/S2414314620009682","","","0.7107","MoKα","","0.0464","0.0308","","","0.0623","0.0692","","","","","","1.041","","","","has coordinates,has Fobs","254476","2020-10-21","18:00:00",""
"1558657","9.8084","0.001","11.6806","0.0011","12.0754","0.0013","77.474","0.006","85.686","0.006","80.742","0.006","1331.8","0.2","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H26 Cl2 N2 O -","- C31 H26 Cl2 N2 O -","- C62 H52 Cl4 N4 O2 -","2","1","HB4352","Shraddha, K. N.; Begum, Noor Shahina","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2020","5","7","x200870","","10.1107/S2414314620008706","","","0.71073","MoKα","","0.079","0.0634","","","0.1978","0.2212","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:39",""
"1558658","9.2324","0.0003","11.1656","0.0004","23.3497","0.0008","90","","90","","90","","2407.01","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","","- C25 H29 Cl N2 O7 -","- C25 H29 Cl N2 O7 -","- C100 H116 Cl4 N8 O28 -","4","1","BT4095","Outahar, Fatima; Moumou, Mohamed; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","IUCrData","2020","5","7","x200945","","10.1107/S2414314620009451","","","0.71073","MoKα","","0.0475","0.0381","","","0.1002","0.1074","","","","","","1.04","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558666","7.9004","0.0002","10.426","0.0003","10.5078","0.0003","99.903","0.002","104.93","0.002","110.061","0.003","752.55","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","","- C15 H12.5 Cu I N2.5 -","- C15 H12.5 Cu I N2.5 -","- C30 H25 Cu2 I2 N5 -","2","1","BH4052","Hoffman, Jessica L.; Akhigbe, Jessie E.; Reinheimer, Eric W.; Smucker, Bradley W.","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","IUCrData","2020","5","7","x200998","","10.1107/S2414314620009980","","","0.71073","MoKα","","0.0542","0.0349","","","0.0817","0.0912","","","","","","1.031","","","","has coordinates,has Fobs","254587","2020-10-21","18:00:00",""
"1558687","13.1494","0.001","9.6899","0.0006","14.8185","0.0013","90","","113.295","0.006","90","","1734.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","GG4005","Detert, Heiner; Kluge, Laura; Schollmeyer, Dieter","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","IUCrData","2020","5","7","x201018","","10.1107/S2414314620010184","","","0.71073","MoKα","","0.1134","0.0719","","","0.1551","0.1845","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558688","6.1778","0.0003","7.77","0.0004","14.8862","0.0007","90","","95.935","0.004","90","","710.73","0.06","100.02","0.11","100.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","","- C8 H6 N6 Pt S4 -","- C8 H6 N6 Pt S4 -","- C16 H12 N12 Pt2 S8 -","2","0.5","BV4032","Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W.","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","IUCrData","2020","5","7","x200980","","10.1107/S2414314620009803","","x-ray","0.71073","MoKα","","0.0202","0.0168","","","0.0373","0.0383","","","","","","1.046","","","","has coordinates,has Fobs","254648","2020-10-21","18:00:00",""
"1558724","9.8726","0.0004","15.8054","0.0007","11.8345","0.0004","90","","94.679","0.001","90","","1840.51","0.13","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","","- C21 H15 F N2 O4 S -","- C21 H15 F N2 O4 S -","- C84 H60 F4 N8 O16 S4 -","4","1","BT4093","Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","IUCrData","2020","5","7","x201028","","10.1107/S2414314620010287","","","0.71073","MoKα","","0.0711","0.0439","","","0.0928","0.1098","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:39",""
"1558815","10.534","0.002","10.545","0.002","11.217","0.002","90","","90","","90","","1246","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Trichloridosulfonium(IV) hexachloridouranate(V)","Trichloridosulfonium(IV) hexachloridouranate(V)","","- Cl9 S U -","- Cl9 S U -","- Cl36 S4 U4 -","4","1","WM4134","Deubner, Holger Lars; Ivlev, Sergei I.; Kraus, Florian","Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl~3~)[UCl~6~]","IUCrData","2020","5","7","x200960","","10.1107/S2414314620009608","","","0.71073","MoKα","","0.0201","0.0194","","","0.0432","0.0434","","","","","","1.08","","","","has coordinates,has Fobs","255164","2020-10-21","18:00:00",""
"1558816","7.191","0.005","8.698","0.005","10.987","0.005","112.289","0.005","92.827","0.005","101.656","0.005","616.7","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","1","0.5","WM4132","Ibragimov, Avazbek","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","IUCrData","2020","5","7","x200843","","10.1107/S2414314620008433","","","1.54184","CuKα","","0.0342","0.0327","","","0.0846","0.0864","","","","","","1.06","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558818","7.8041","0.0006","22.8879","0.0016","25.267","0.0016","90","","90","","90","","4513.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","HB4356","Shripanavar, Chetan Shrimandhar; Butcher, Ray J.","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","IUCrData","2020","5","8","x201060","","10.1107/S2414314620010603","","","0.71073","MoKα","","0.1314","0.0688","","","0.1184","0.1356","","","","","","0.93","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558830","8.336","0.0002","10.178","0.0003","16.326","0.0004","82.284","0.002","76.557","0.002","87.081","0.002","1334.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","2","","Araújo, Rodrigo S. A. de; Zondegoumba, Ernestine N. T.; Tankoua, Whisthler L. D.; Nyassé, Barthelemy; Mendonça, Francisco J. B. F.; De Simone, Carlos A.","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","IUCrData","2020","5","8","x201005","","10.1107/S2414314620010056","","","0.71073","MoKα","","0.0723","0.0567","","","0.1687","0.1837","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558831","12.0239","0.0006","7.1317","0.0003","12.6836","0.0007","90","","101.104","0.004","90","","1067.27","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","","- C11 H16 N2 Se -","- C11 H16 N2 Se -","- C44 H64 N8 Se4 -","4","1","HB4354","Detert, Heiner; Schollmeyer, Dieter","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","IUCrData","2020","5","8","x201081","","10.1107/S2414314620010810","","","0.71073","MoKα","","0.0385","0.0348","","","0.0927","0.0965","","","","","","1.099","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558860","5.3477","0.0004","26.6084","0.0018","7.7367","0.0005","90","","106.715","0.002","90","","1054.37","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","","- C18 H22 Ca O12 -","- C18 H22 Ca O12 -","- C36 H44 Ca2 O24 -","2","0.5","HB4355","Camargo-Cortés, Esmit B.; Acosta, Mirna; Martínez, Juan C.; Pineda, Leslie W.","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","IUCrData","2020","5","8","x201092","","10.1107/S2414314620010925","","","0.71073","MoKα","","0.0613","0.057","","","0.1318","0.1332","","","","","","1.385","","","","has coordinates,has Fobs","255344","2020-10-21","18:00:00",""
"1558931","6.7463","0.0003","9.036","0.0004","9.3954","0.0004","81.005","0.002","85.099","0.002","88.7","0.002","563.6","0.04","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","","- C10 H11 N3 O6 -","- C10 H11 N3 O6 -","- C20 H22 N6 O12 -","2","1","HB4359","Uppu, Sannihith N.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","IUCrData","2020","5","8","x201121","","10.1107/S2414314620011219","","","0.71073","MoKα","","0.0481","0.0375","","","0.1043","0.1111","","","","","","1.041","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559018","24.7168","0.0008","16.6156","0.0005","8.3805","0.0003","90","","90","","90","","3441.7","0.2","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","","- C10 H32 Cl2 N4 Ni O2 -","- C10 H32 Cl2 N4 Ni O2 -","- C80 H256 Cl16 N32 Ni8 O16 -","8","0.5","WM4136","Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","IUCrData","2020","5","9","x201182","","10.1107/S2414314620011827","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559019","5.5622","0.0007","18.891","0.002","9.6524","0.0013","90","","104.454","0.013","90","","982.1","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1<i>H</i>-indole-2-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","BH4054","Lynch, Will E.; Whitlock, Christine R.; Padgett, Clifford W.","Ethyl 1<i>H</i>-indole-2-carboxylate","IUCrData","2020","5","9","x201205","","10.1107/S2414314620012055","","x-ray","0.71073","MoKα","","0.1062","0.0494","","","0.1134","0.1436","","","","","","1.009","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559020","7.4768","0.0003","16.219","0.0009","19.4101","0.001","90","","90","","90","","2353.8","0.2","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-Spirost-4-en-3,6-dione","","- C27 H38 O4 -","- C27 H38 O4 -","- C108 H152 O16 -","4","1","ZQ4041","Guerrero-Luna, Gabriel; Reyes Melchor, Jaquelin; Bernès, Sylvain; Hernández-Linares, María-Guadalupe","Diosgenin-3,6-dione: second polymorph in space group <i>P</i>2~1~2~1~2~1~","IUCrData","2020","5","9","x201200","","10.1107/S2414314620012006","","x-ray","0.56083","AgKα","","0.0694","0.0396","","","0.0825","0.0911","","","","","","0.884","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559021","12.71423","0.00013","17.04149","0.00018","26.1784","0.0003","90","","96.7054","0.0009","90","","5633.26","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","","- C116 H112 O16 Os4 P4 -","- C116 H112 O16 Os4 P4 -","- C232 H224 O32 Os8 P8 -","2","0.5","WM4137","Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W.","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","IUCrData","2020","5","9","x201204","","10.1107/S2414314620012043","","x-ray","1.54184","CuKα","","0.0284","0.0273","","","0.069","0.0697","","","","","","1.056","","","","has coordinates,has Fobs","256247","2020-10-21","18:00:00",""
"1559022","9.642","0.005","11.407","0.005","17.858","0.008","90","","103.606","0.005","90","","1909","1.6","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","HB4357","Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","IUCrData","2020","5","9","x201213","","10.1107/S2414314620012134","","","0.71073","MoKα","","0.0616","0.0427","","","0.0975","0.1081","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559023","12.4519","0.0005","7.8785","0.0003","15.668","0.0007","90","","105.253","0.0016","90","","1482.92","0.11","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","HB4362","Sung, Jiha","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","9","x201209","","10.1107/S2414314620012092","","","0.71073","MoKα","","0.06","0.0424","","","0.102","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559074","9.394","0.005","9.802","0.005","11.914","0.006","88.983","0.005","73.144","0.005","69.488","0.005","979","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","","- C27 H19 F2 N -","- C27 H19 F2 N -","- C54 H38 F4 N2 -","2","1","HB4358","Fang, Yiwen; Liu, Bingbing; Jia, Zhixiang","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","IUCrData","2020","5","9","x201241","","10.1107/S2414314620012419","","","0.71073","MoKα","","0.081","0.0627","","","0.1751","0.1895","","","","","","1.057","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559075","7.725","0.003","12.721","0.003","14.609","0.004","70.67","0.03","82.88","0.03","80.46","0.03","1332.3","0.8","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","","- C28 H24 Co F6 Fe2 O6 -","- C28 H24 Co F6 Fe2 O6 -","- C56 H48 Co2 F12 Fe4 O12 -","2","1","HB4360","Wang, Shujing; Han, Heguo; Han, Yuyang","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","IUCrData","2020","5","9","x201240","","10.1107/S2414314620012407","","","1.54186","CuKα","","0.07","0.0485","","","0.1138","0.1273","","","","","","1.05","","","","has coordinates,has Fobs","256389","2020-10-21","18:00:00",""
"1559092","13.2096","0.0014","4.9765","0.0005","13.5673","0.0014","90","","98.603","0.002","90","","881.85","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidine–succinic acid (2/1)","","- C12 H16 Cl2 N8 O4 -","- C12 H16 Cl2 N8 O4 -","- C24 H32 Cl4 N16 O8 -","2","0.5","HB4365","Chakkarapani, Nandhini; Murugan, Suganya; Ibrahim, Abdul Razak; Kavitha, Savaridasan Jose; Hemamalini, Madhukar; Rajakannan, Venkatachalam","2,6-Diamino-4-chloropyrimidine–succinic acid (2/1)","IUCrData","2020","5","9","x201239","","10.1107/S2414314620012390","","","0.71073","MoKα","","0.0545","0.0434","","","0.1171","0.1282","","","","","","1.04","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559093","8.4636","0.0013","9.8402","0.0015","22.701","0.003","90","","105.917","0.005","90","","1818.1","0.5","296.15","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C20 H14 N6 -","- C20 H14 N6 -","- C80 H56 N24 -","4","1","HB4363","Cai, Changting; Lin, Bicheng; Wu, Wenxuan; Zhu, Qingwei","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","IUCrData","2020","5","9","x201246","","10.1107/S2414314620012468","","","0.71073","MoKα","","0.0491","0.0419","","","0.1083","0.1141","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559124","16.7584","0.0015","13.6696","0.0014","16.0291","0.0017","90","","111.125","0.005","90","","3425.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","","- C40 H36 B2 N4 O5 -","- C40 H36 B2 N4 O5 -","- C160 H144 B8 N16 O20 -","4","1","HB4361","Mallard, Hannah H.; Kennedy, Nicholas D.; Rudman, Nathan A.; Greenwood, Alexa M.; Nicoleau, Jonathan; Angle, Corey E.; Torquato, Nicole A.; Gau, Micheal R.; Carroll, Patrick J.; Anstey, Mitchell R.","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","IUCrData","2020","5","9","x201248","","10.1107/S2414314620012481","","","0.71073","MoKα","","0.0599","0.0387","","","0.0839","0.0927","","","","","","1.021","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559209","9.8291","0.0008","10.0499","0.0008","11.0308","0.0009","98.825","0.007","90.9","0.007","117.747","0.006","948.19","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","1","0.5","IM4010","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; Al-Douh, Mohammed Hadi; Glidewell, Christopher","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","IUCrData","2020","5","9","x201278","","10.1107/S241431462001278X","","","0.71073","MoKα","","0.0994","0.0673","","","0.1495","0.1641","","","","","","0.961","","","","has coordinates,has Fobs","256799","2020-10-21","18:00:00",""
"1559210","8.2694","0.0003","21.1783","0.0008","10.705","0.0004","90","","111.117","0.001","90","","1748.89","0.11","99.99","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","PK4031","Whalen, Aislinn C.; Hernandez Brito, Claudia; Choi, Kyoung H.; Warner, Ellen J. T.; Thole, David A.; Gau, Michael R.; Carroll, Patrick J.; Anstey, Mitchell R.","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","IUCrData","2020","5","9","x201276","","10.1107/S2414314620012766","","","0.71073","MoKα","","0.0482","0.0365","","","0.0838","0.0897","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:39",""
"1559211","20.6543","0.0003","8.365","0.0001","17.5215","0.0003","90","","97.371","0.002","90","","3002.23","0.08","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","","- C26 H48 N4 Si3 -","- C26 H48 N4 Si3 -","- C104 H192 N16 Si12 -","4","1","IS4044","Mizuhata, Yoshiyuki; Iwai, Kento; Tokitoh, Norihiro","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","IUCrData","2020","5","9","x201299","","10.1107/S2414314620012997","","","0.71073","MoKα","","0.0397","0.0325","","","0.0817","0.0863","","","","","","1.038","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559228","7.577","0.0006","7.6838","0.0006","10.2038","0.0008","101.843","0.006","90.893","0.006","104.642","0.006","561.11","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","","- C11 H17 Br O2 -","- C11 H17 Br O2 -","- C22 H34 Br2 O4 -","2","1","BT4098","Schollmeyer, Dieter; Heidrich, Maximilian; Detert, Heiner","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","IUCrData","2020","5","9","x201302","","10.1107/S2414314620013024","","","0.71073","MoKα","","0.0371","0.0337","","","0.0851","0.0871","","","","","","1.147","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559229","7.655","0.0014","15.329","0.003","18.486","0.004","90","","92.088","0.007","90","","2167.8","0.7","98","","98","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C72 H52 Cl8 F12 N16 O12 S4 Zn4 -","4","1","VM4046","Adrian, Rafael A.; Arman, Hadi D.","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","IUCrData","2020","5","9","x201292","","10.1107/S2414314620012924","","","0.71075","MoKα","","0.0298","0.027","","","0.0736","0.0751","","","","","","1.053","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:50",""
"1559271","35.83","0.002","14.292","0.009","11.057","0.006","90","","90","","90","","5662","5","194","2","194","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","","- C25 H29 Cl3 N4 Si Zr -","- C25 H29 Cl3 N4 Si Zr -","- C200 H232 Cl24 N32 Si8 Zr8 -","8","2","ZQ4018","Li, Wei; Bai, Shengdi; Su, Feng; Duan, Xine; Liu, Diansheng","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","IUCrData","2017","2","3","x170380","","10.1107/S2414314617003807","","","0.71073","MoKα","","0.1377","0.0662","","","0.1429","0.1937","","","","","","1.004","","","","has coordinates,has Fobs","257225","2020-10-21","18:00:00",""
"1559332","7.413","0.0008","9.2858","0.0007","10.1238","0.001","90","","102.841","0.01","90","","679.45","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyridine-4-carboxamidoxime <i>N</i>-oxide","(<i>Z</i>)-4-(<i>N</i>'-Hydroxycarbamimidoyl)pyridine <i>N</i>-oxide","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","BH4056","Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E.","Pyridine-4-carboxamidoxime <i>N</i>-oxide","IUCrData","2020","5","10","x201335","","10.1107/S2414314620013358","","x-ray","0.71073","MoKα","","0.0553","0.0392","","","0.0922","0.1009","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559333","24.7018","0.0006","6.3093","0.0001","13.2103","0.0003","90","","118.05","0.0008","90","","1817.01","0.07","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(Dimethylamino)benzohydrazide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C72 H104 N24 O8 -","8","1","HB4366","Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","4-(Dimethylamino)benzohydrazide","IUCrData","2020","5","10","x201310","","10.1107/S2414314620013103","","","1.54178","CuKα","","0.0365","0.0363","","","0.098","0.0982","","","","","","1.067","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559354","12.1001","0.0019","13.3139","0.0018","13.4869","0.0012","62.471","0.009","63.694","0.007","87.388","0.011","1692.2","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","","- C15 H10 Cl N5 O6 Zn -","- C15 H10 Cl N5 O6 Zn -","- C60 H40 Cl4 N20 O24 Zn4 -","4","2","","Adrian, Rafael A.; Canales, Daniela; Arman, Hadi D.","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","IUCrData","2020","5","10","x201344","","10.1107/S2414314620013449","","","0.71073","MoKα","","0.0481","0.0427","","","0.104","0.1092","","","","","","1.014","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559391","6.3136","0.0002","11.6138","0.0005","12.633","0.0005","90","","95.292","0.003","90","","922.36","0.06","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","BT4099","Kotha, Sambasivarao; Ansari, Saima; Cheekatla, Subba Rao","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","IUCrData","2020","5","10","x201380","","10.1107/S2414314620013802","","","0.71073","MoKα","","0.0551","0.0477","","","0.1075","0.1106","","","","","","1.096","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559407","6.5499","0.0003","7.6232","0.0003","25.6211","0.0011","90","","96.216","0.001","90","","1271.77","0.09","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-5-nitrobenzaldehyde(2'-hydroxy-5'-methylphenyl)imine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","HB4367","Böhme, Uwe; Fels, Sabine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","IUCrData","2020","5","10","x201384","","10.1107/S241431462001384X","","","0.71073","MoKα","","0.0637","0.0412","","","0.099","0.1141","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:40",""
"1559408","25.006","0.002","5.0337","0.0006","8.5646","0.0006","90","","90","","90","","1078.05","0.17","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework","IUCrData","2020","5","10","x201391","","10.1107/S2414314620013917","","","0.71073","MoKα","","0.0743","0.0503","","","0.1204","0.1352","","","","","","0.908","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559417","17.7519","0.0011","30.485","0.0011","17.7526","0.0008","90","","91.061","0.001","90","","9605.5","0.8","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Al2.95 Cr0.59 -","- Al2.95407 Cr0.586161 -","- Al514.008 Cr101.992 -","174","21.75","WM4139","Geng, Xu; Wen, Bin; Fan, Changzeng","Crystal structure of Al2.95Cr0.59, a phase closely related to the η-phase in the binary Al–Cr system","IUCrData","2020","5","10","x201412","","10.1107/S2414314620014121","","","0.71073","MoKα","","0.0851","0.0444","","","0.0712","0.0809","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:51",""
"1559437","9.9429","0.0005","9.3845","0.0005","20.7845","0.0011","90","","91.55","0.002","90","","1938.67","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","HB4364","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Tiekink, Edward R. T.","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","IUCrData","2020","5","10","x201228","","10.1107/S2414314620012286","","","0.71073","MoKα","","0.0785","0.049","","","0.1213","0.1403","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:40",""
"1559484","6.1056","0.0003","10.8114","0.0007","15.5867","0.0009","90","","90","","90","","1028.88","0.1","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","","- C8 H16 N2 Si -","- C8 H16 N2 Si -","- C32 H64 N8 Si4 -","4","1","SJ4215","Böhme, Uwe; Bitto, Florian","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","IUCrData","2020","5","11","x201444","","10.1107/S2414314620014443","","","0.71073","MoKα","","0.0313","0.0296","","","0.0786","0.0802","","","","","","1.091","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559529","16.2976","0.0008","6.1294","0.0002","12.2221","0.0006","90","","99.07","0.004","90","","1205.65","0.09","119.98","0.1","119.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Naphthalen-2-yl)methyl]isothiouronium bromide","","- C12 H13 Br N2 S -","- C12 H13 Br N2 S -","- C48 H52 Br4 N8 S4 -","4","1","SJ4217","Eigner, Václav","Crystal structure of 2-[(naphthalen-2-yl)methyl]isothiouronium bromide","IUCrData","2020","5","11","x201511","","10.1107/S2414314620015114","","x-ray","1.54184","CuKα","","0.0424","0.0304","","","0.0757","0.0806","","","","1.26","1.26","1.18","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559541","25.348","0.002","7.3059","0.0005","19.347","0.001","90","","94.19","0.006","90","","3573.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(3,5-dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","TK4065","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","1-(3,5-Dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","IUCrData","2020","5","11","x201523","","10.1107/S2414314620015230","","","0.71073","MoKα","","0.0804","0.0469","","","0.0987","0.1127","","","","","","1.024","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559549","8.4257","0.0011","9.0522","0.0009","22.237","0.002","90","","98.303","0.012","90","","1678.3","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","","- C20 H18 O4 S -","- C20 H18 O4 S -","- C80 H72 O16 S4 -","4","1","BT4102","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","IUCrData","2020","5","11","x201464","","10.1107/S2414314620014649","","x-ray","0.71073","MoKα","","0.1286","0.0694","","","0.1261","0.1654","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559576","7.86","0.003","10.439","0.004","11.713","0.005","76.236","0.014","73.653","0.013","68.852","0.012","850.1","0.6","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium chloride","<i>N</i>-[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-aminium chloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ4218","Sammeta, Vamshikrishna Reddy; Rasapalli, Sivappa; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The hydrochloride salt of 4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (4-HO-DPT)","IUCrData","2020","5","11","x201546","","10.1107/S2414314620015461","","","0.71073","MoKα","","0.0617","0.0363","","","0.0955","0.1029","","","","","","1.029","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559703","9.2554","0.0003","11.5721","0.0004","31.9214","0.001","90","","90","","90","","3418.92","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","","- C42 H37 N O2 -","- C42 H37 N O2 -","- C168 H148 N4 O8 -","4","1","SJ4216","Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R.","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","IUCrData","2020","5","12","x201576","","10.1107/S241431462001576X","","x-ray","0.71073","MoKα","","0.0973","0.0524","","","0.0976","0.1122","","","","","","1.007","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559755","7.535","0.0018","7.6723","0.0017","9.372","0.002","90.136","0.018","90.773","0.019","118.555","0.017","475.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","","- C8 H8 N4 Se2 -","- C8 H8 N4 Se2 -","- C16 H16 N8 Se4 -","2","1","BT4104","Detert, Heiner; Schollmeyer, Dieter","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","IUCrData","2020","5","12","x201585","","10.1107/S2414314620015850","","","0.71073","MoKα","","0.0754","0.0649","","","0.1937","0.2166","","","","","","1.116","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559756","6.0147","0.0002","18.8172","0.0004","20.453","0.0005","90","","90","","90","","2314.87","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","HB4369","Sha, Fanrui; Johnson, Adam R.","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","IUCrData","2020","5","12","x201580","","10.1107/S2414314620015801","","x-ray","0.71073","MoKα","","0.0616","0.0448","","","0.0918","0.0979","","","","","","1.031","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559757","10.8217","0.0002","11.1644","0.0002","18.2804","0.0005","90","","90","","90","","2208.6","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ircinianin","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","BT4103","Majer, Thomas; Schollmeyer, Dieter; Koch, Pierre; Gross, Harald","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","IUCrData","2020","5","12","x201578","","10.1107/S2414314620015783","","","1.54186","CuKα","","0.033","0.032","","","0.0841","0.0856","","","","","","1.077","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559812","6.8203","0.0008","8.6934","0.001","15.865","0.002","90","","90","","90","","940.66","0.19","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl α-<i>L</i>-sorboside","","- C8 H16 O6 -","- C8 H16 O6 -","- C32 H64 O24 -","4","1","BV4033","Nagayama, Natsumi; Taniguchi, Norito; Matsumoto, Mao; Takeshita, Kei; Ishii, Tomohiko","Ethyl α-<small>L</small>-sorboside","IUCrData","2020","5","12","x201625","","10.1107/S2414314620016259","","","1.54187","CuKα","","0.0398","0.0366","","","0.0891","0.0904","","","","","","1.073","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559847","5.9196","0.0003","7.3562","0.0004","21.1126","0.0012","90","","90","","90","","919.36","0.09","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2-<i>O</i>-Isopropylidene-β-D-<i>lyxo</i>-furanose","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","ZQ4044","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","0.71073","MoKα","","0.0566","0.0425","","","0.1004","0.1086","","","","","","1.028","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559848","5.9216","0.0003","7.3539","0.0004","21.1087","0.0012","90","","90","","90","","919.22","0.09","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","1.54178","CuKα","","0.0775","0.0303","","","0.0757","0.0895","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559849","4.9306","0.0001","15.7882","0.0005","21.0651","0.0006","90","","90","","90","","1639.82","0.08","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-naphthalenemethanol","Naphthalen-1-ylmethanol","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","HB4373","Nazarenko, Alexander Y.","Naphthalen-1-ylmethanol","IUCrData","2020","5","12","x201646","","10.1107/S2414314620016466","","","0.71073","MoKα","","0.0712","0.0505","","","0.1282","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559865","9.5637","0.0003","9.5637","0.0003","36.3395","0.001","90","","90","","90","","3323.77","0.17","173","2","173.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","(+)-3-naphthoylcamphor","(1<i>R</i>,3<i>S</i>,4<i>R</i>)-1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","","- C21 H22 O2 -","- C21 H22 O2 -","- C168 H176 O16 -","8","1","BV4034","Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y.","1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","IUCrData","2020","5","12","x201662","","10.1107/S2414314620016624","","","1.54178","CuKα","","0.0455","0.0424","","","0.108","0.1102","","","","","","1.052","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559962","12.9774","0.0005","14.6762","0.0007","16.775","0.0006","66.578","0.004","77.956","0.003","81.343","0.004","2859","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ~3~-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ~3~-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ~3~-oxido-heptamanganese(II,III) ethanol octasolvate","","- C98 H135 Mn7 N8 O40 -","- C84 H102 Mn7 N8 O33 -","- C84 H102 Mn7 N8 O33 -","1","0.5","BH4058","Saha, Arpita; Padgett, Clifford W.; LeMagueres, Pierre; Moncur, Kiana; Onajobi, Glory","Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ3-oxido-heptamanganese(II,III) ethanol octasolvate","IUCrData","2021","6","1","x201643","","10.1107/S2414314620016430","","x-ray","0.71073","MoKα","","0.0619","0.0479","","","0.1338","0.1412","","","","","","1.07","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:52",""
"1560014","7.4548","0.0009","22.976","0.003","8.3149","0.001","90","","115.866","0.003","90","","1281.5","0.3","282","","282.34","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","XU4042","Chen, Lin; Hu, Jin; Sun, Hong-Shun","7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one","IUCrData","2021","6","1","x210018","","10.1107/S2414314621000183","","x-ray","0.71073","MoKα","","0.0769","0.0601","","","0.1427","0.1532","","","","","","1.053","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:31",""
"1560235","8.7181","0.0002","10.723","0.0003","11.2096","0.0003","113.035","0.001","91.4395","0.0012","107.402","0.0011","908.09","0.04","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","HB4374","Yoo, Miri; Koh, Dongsoo","1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","IUCrData","2021","6","1","x210096","","10.1107/S2414314621000961","","","0.71073","MoKα","","0.0708","0.0461","","","0.1121","0.1258","","","","","","1.048","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:32",""
"1560251","8.639","0.008","20.045","0.012","8.116","0.005","90","","101.326","0.005","90","","1378.1","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dinitrophenyl)-1-(pyridin-4-yl)ethanol monohydrate","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","1","HB4371","Huang, Houshi; Wu, Zhichao","2-(2,4-Dinitrophenyl)-1-(pyridin-4-yl)ethanol monohydrate","IUCrData","2021","6","2","x201640","","10.1107/S2414314620016405","","","0.71073","MoKα","","0.0502","0.0452","","","0.1206","0.125","","","","","","1.034","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:32",""
"1560295","8.9944","0.0004","11.325","0.0006","14.4042","0.0007","90","","90","","90","","1467.23","0.12","297","2","297.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptammonium iodide","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]trimethylazanium iodide","","- C13 H19 I N2 O -","- C13 H19 I N2 O -","- C52 H76 I4 N8 O4 -","4","1","BT4107","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bufotenidinium iodide","IUCrData","2021","6","2","x210123","","10.1107/S2414314621001231","","","0.71073","MoKα","","0.0141","0.0132","","","0.0309","0.0317","","","","","","1.08","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:32",""
"1560366","8.204","0.003","9.7","0.005","11.33","0.005","80.975","0.015","81.242","0.017","78.726","0.017","866.4","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","9-[(<i>Z</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole","","- C20 H22 B N O2 -","- C20 H22 B N O2 -","- C40 H44 B2 N2 O4 -","2","1","TK4068","Kanagawa, Mayu; Akagi, Kazuto; Okuno, Tsunehisa","9-[(<i>Z</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole","IUCrData","2021","6","2","x210142","","10.1107/S2414314621001425","","","0.71075","MoKα","","0.0663","0.0536","","","0.1371","0.1478","","","","","","1.04","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1560436","7.4781","0.0001","7.4781","0.0001","33.0219","0.001","90","","90","","90","","1846.65","0.07","150","","150","","","","","","","","","3","P 43","P 4cw","78","","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","2","HB4372","Kotha, Sambasivarao; Fatma, Ambareen; Ansari, Saima","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione","IUCrData","2021","6","2","x210167","","10.1107/S241431462100167X","","x-ray","0.71073","MoKα","","0.0689","0.0598","","","0.1642","0.1822","","","","","","1.0523","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1560437","11.9747","0.0006","15.6483","0.0007","17.8804","0.0008","90","","95.292","0.004","90","","3336.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate","","- C28 H40 Cd2 Cl4 N6 O -","- C28 H40 Cd2 Cl4 N6 O -","- C112 H160 Cd8 Cl16 N24 O4 -","4","1","HB4375","Al-Sudani, Abdul-Razak H.; Abdulridha, Myasim Qasim; Kariuki, Benson M.","Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate","IUCrData","2021","6","2","x210150","","10.1107/S2414314621001504","","","0.71073","MoKα","","0.0667","0.0361","","","0.0714","0.0861","","","","","","1.046","","","","has coordinates,has Fobs","262023","2021-02-17","06:14:01",""
"1560706","10.6982","0.0003","19.8473","0.0008","16.7642","0.0006","90","","90","","90","","3559.5","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","","- C19 H22 F N5 O -","- C19 H22 F N5 O -","- C152 H176 F8 N40 O8 -","8","1","BT4108","Andreev, Stanislav; Schollmeyer, Dieter; Koch, Pierre","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","IUCrData","2021","6","2","x210159","","10.1107/S2414314621001590","","","0.71073","MoKα","","0.1099","0.0689","","","0.1659","0.194","","","","","","1.141","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1560707","25.375","0.0004","25.375","0.0004","8.6456","0.0002","90","","90","","90","","5566.82","0.18","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one","","- C30 H31 N O3 S2 -","- C30 H31 N O3 S2 -","- C240 H248 N8 O24 S16 -","8","1","BV4035","Vinotha, G.; Sundar, T. V.; Sharmila, N.","13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one","IUCrData","2021","6","2","x210210","","10.1107/S2414314621002108","","","0.71073","MoKα","","0.0557","0.043","","","0.1038","0.1102","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","262302","2021-02-27","06:15:23",""
"1560708","18.248","0.004","10.304","0.002","27.541","0.006","90","","101.41","0.03","90","","5076.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate","","- C28 H24 N3 O6.5 -","- C28 H24 N3 O6.5 -","- C224 H192 N24 O52 -","8","2","XU4043","Li, Yu-Long; Zhou, Jin; Jiang, Hong; Sun, Hong-Shun; Li, Rui-Zhe; Liu, Sha-Li; Zhang, Xu-Dong","Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate","IUCrData","2021","6","2","x210057","","10.1107/S2414314621000572","","","0.71073","MoKα","","0.2491","0.104","","","0.16","0.2129","","","","","","1.198","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1561313","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","HB4379","Shirmila, D. Angeline; Jonathan, D. Reuben; Priya, M. Krishna; Hemalatha, J.; Usha, G.","(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","IUCrData","2021","6","3","x210309","","10.1107/S2414314621003096","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates,has Fobs","263398","2021-03-28","06:00:32",""
"1561398","37.196","0.004","4.8441","0.0004","5.584","0.0004","90","","90","","90","","1006.13","0.15","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C48 H44 N4 O10 -","2","0.5","BT4110","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Baashen, Mohammed A.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate","IUCrData","2021","6","3","x210314","","10.1107/S241431462100314X","","","1.54184","CuKα","","0.0912","0.0624","","","0.1523","0.1715","","","","","","1.046","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561399","10.009","0.002","10.118","0.002","10.498","0.002","117.451","0.004","97.465","0.004","96.344","0.004","917.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Hexaaquadodeca-μ~2~-iodido-hexatantalum diiodide tetrahydrate","","- H20 I14 O10 Ta6 -","- H20 I14 O10 Ta6 -","- H20 I14 O10 Ta6 -","1","0.5","WM4145","Schröder, Florian; Köckerling, Martin","Hexaaquadodeca-μ2-iodido-octahedro-hexatantalum diiodide tetrahydrate","IUCrData","2021","6","3","x210304","","10.1107/S2414314621003047","","","0.71073","MoKα","","0.0328","0.0249","","","0.0487","0.0512","","","","","","1.071","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:52",""
"1561633","5.4887","0.0009","9.247","0.0012","27.457","0.002","90","","94.75","0.01","90","","1388.8","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[(1,3-Dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)amino]-2-methylisoindoline-1,3-dione","","- C14 H12 N4 O3 S -","- C14 H12 N4 O3 S -","- C56 H48 N16 O12 S4 -","4","1","HB4377","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","5-[(1,3-Dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)amino]-2-methylisoindoline-1,3-dione","IUCrData","2021","6","4","x210322","","10.1107/S2414314621003229","","x-ray","0.71073","MoKα","","0.0968","0.061","","","0.1326","0.1534","","","","","","1.039","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561634","9.7398","0.0004","4.654","0.0002","20.1866","0.0009","90","","100.842","0.004","90","","898.71","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide","","- C16 H12 Cl4 N2 O4 -","- C16 H12 Cl4 N2 O4 -","- C32 H24 Cl8 N4 O8 -","2","0.5","HB4380","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide","IUCrData","2021","6","4","x210318","","10.1107/S2414314621003187","","","1.54184","CuKα","","0.0613","0.0525","","","0.1391","0.1526","","","","","","1.026","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561635","8.1123","0.0004","15.8713","0.0009","27.6155","0.0014","90","","90","","90","","3555.6","0.3","120","0.1","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","","- C22 H20 O3 -","- C22 H20 O3 -","- C176 H160 O24 -","8","1","HB4378","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","IUCrData","2021","6","4","x210356","","10.1107/S2414314621003564","","x-ray","0.71073","MoKα","","0.0612","0.0402","","","0.0973","0.1065","","","","1.5413","1.5413","1.4369","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561636","7.664","0.003","9.876","0.003","13.018","0.005","91.602","0.012","104.301","0.013","101.729","0.013","931.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-amino-4-methylthiophene-3-carboxylate","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","2","BT4112","Khanum, Ghazala; Fatima, Aysha; Sharma, Pooja; Srivastava, S. K.; Butcher, Ray J.","Ethyl 2-amino-4-methylthiophene-3-carboxylate","IUCrData","2021","6","4","x210351","","10.1107/S2414314621003515","","","0.71073","MoKα","","0.084","0.0566","","","0.15","0.1684","","","","","","1.028","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561637","6.0518","0.0002","27.7837","0.0007","6.9028","0.0002","90","","90.497","0.002","90","","1160.6","0.06","94.98","0.1","94.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol","","- C11 H15 Br N2 O2 -","- C11 H15 Br N2 O2 -","- C44 H60 Br4 N8 O8 -","4","2","BT4109","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol","IUCrData","2021","6","4","x210335","","10.1107/S2414314621003357","","x-ray","1.54184","CuKα","","0.0553","0.0546","","","0.1339","0.1343","","","","2.3377","2.3377","2.3049","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561708","7.9855","0.0009","13.5742","0.0015","17.6103","0.0019","90","","91.463","0.004","90","","1908.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-(2,3-Dichlorophenyl)piperazin-1-ium picrate","4-(2,3-Dichlorophenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C16 H15 Cl2 N5 O7 -","- C16 H15 Cl2 N5 O7 -","- C64 H60 Cl8 N20 O28 -","4","1","BV4037","Sathya, Udhayasuriyan; Nirmal Ram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Ramu, Shyamaladevi; Jegan Jennifer, Samson; Ibrahim, Abdul Razak","4-(2,3-Dichlorophenyl)piperazin-1-ium picrate","IUCrData","2021","6","4","x210379","","10.1107/S2414314621003795","","","0.71073","MoKα","","0.0802","0.052","","","0.1285","0.1499","","","","","","1.014","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561945","7.2866","0.0005","8.5212","0.0006","12.1832","0.0008","71.376","0.001","81.745","0.001","83.682","0.001","707.76","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","I","3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate","","- C11 H13 Br2 N O4 -","- C11 H13 Br2 N O4 -","- C22 H26 Br4 N2 O8 -","2","1","HB4381","Noland, Wayland E.; Herzig, Ryan J.; Fox, Renee C.; Tritch, Kenneth J.","3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate","IUCrData","2021","6","4","x210391","","10.1107/S2414314621003916","","","0.71073","MoKα","","0.0326","0.0262","","","0.0622","0.0649","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","301787","2025-08-18","22:19:34",""
"1561946","12.3428","0.0006","8.4603","0.0004","16.0543","0.0006","90","","92.881","0.004","90","","1674.33","0.13","93.15","","93.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate)","","- C8 H22 Cl2 N4 O9 Zn -","- C8 H22 Cl2 N4 O9 Zn -","- C32 H88 Cl8 N16 O36 Zn4 -","4","1","VM4048","Ichimaru, Yoshimi; Kato, Koichi; Kurosaki, Hiromasa; Fujioka, Haruto; Sakai, Misa; Yamaguchi, Yoshihiro; Wanchun, Jin; Sugiura, Kirara; Imai, Masanori; Koike, Tohru","Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate)","IUCrData","2021","6","4","x210397","","10.1107/S2414314621003977","","x-ray","1.54184","CuKα","","0.0758","0.0665","","","0.1811","0.1856","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:52",""
"1562056","9.5944","0.0003","12.7606","0.0004","18.0312","0.0006","73.9951","0.0018","79.1246","0.0018","75.2203","0.0017","2035.09","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","Quinine dihydrochloride monohydrate","4-[(5-Ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)(hydroxy)methyl]-6-methoxyquinolin-1-ium dichloride hemihydrate","","- C40 H54 Cl4 N4 O5 -","- C40 H54 Cl4 N4 O5 -","- C80 H108 Cl8 N8 O10 -","2","2","BV4036","Anderson, Grace I.; Bellia, Sophia; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Quinine dihydrochloride hemihydrate","IUCrData","2021","6","4","x210406","","10.1107/S2414314621004065","","","0.71073","MoKα","","0.0552","0.0379","","","0.0826","0.0898","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","301787","2025-08-18","22:19:34",""
"1562181","9.5057","0.0004","29.3757","0.0017","16.5679","0.0008","90","","96.127","0.002","90","","4599.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole","","- C30 H19 I N2 -","- C30 H19 I N2 -","- C240 H152 I8 N16 -","8","2","HB4376","Yan, Dan","9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole","IUCrData","2021","6","4","x210428","","10.1107/S2414314621004284","","","0.71073","MoKα","","0.0526","0.0386","","","0.0823","0.0879","","","","","","1.044","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1562346","8.2294","0.0004","8.4573","0.0005","14.0115","0.0007","90","","93.974","0.004","90","","972.83","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[2,5-Bis(dipropylamino)-4-(hydroxymethyl)phenyl]methanol","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C40 H72 N4 O4 -","2","0.5","HB4382","Schmitt, Volker; Holzmann, Gideon; Schollmeyer, Dieter; Detert, Heiner","[2,5-Bis(dipropylamino)-4-(hydroxymethyl)phenyl]methanol","IUCrData","2021","6","4","x210443","","10.1107/S2414314621004430","","","0.71073","MoKα","","0.0519","0.0431","","","0.1046","0.1119","","","","","","1.048","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1562429","9.961","0.0008","8.9243","0.0007","9.7204","0.0007","90","","106.943","0.003","90","","826.59","0.11","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(Cobaltoceniumylamido)pyridinium hexafluoridophosphate","","- C15 H14 Co F6 N2 P -","- C15 H14 Co F6 N2 P -","- C30 H28 Co2 F12 N4 P2 -","2","1","BV4038","Menia, Daniel; Höfer, Thomas; Wurst, Klaus; Bildstein, Benno","(Cobaltoceniumylamido)pyridinium hexafluoridophosphate","IUCrData","2021","6","5","x210460","","10.1107/S2414314621004600","","","0.71073","MoKα","","0.0456","0.0373","","","0.0896","0.0932","","","","","","1.045","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:53",""
"1562505","11.4373","0.0002","9.2045","0.0001","13.9862","0.0002","90","","112.03","0.002","90","","1364.89","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)-2<i>H</i>-chromen-2-one","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","ZL4043","Mamadrakhimov, Azimjon; Mutalliyev, Luqmonjon; Abdullaev, Sirojiddin; Khodjaniyazov, Khamid; Izotova, Lidiya; Aisa, Haji Akber","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin (capensine)","IUCrData","2021","6","5","x210451","","10.1107/S241431462100451X","","","1.54184","CuKα","","0.0459","0.0442","","","0.1272","0.129","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","301787","2025-08-18","22:19:35",""
"1562564","8.4465","0.0003","10.296","0.0004","12.1699","0.0004","91.24","0.001","95.072","0.001","92.102","0.001","1053.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-cyano-2-{(<i>Z</i>)-2-[2,2-dicyano-1-(4-methylphenyl)ethyl]cyclohexylidene}acetate","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Sivapriya, S.; Priyanka, S.; Gopalakrishnan, M.; Manikandan, H.; Selvanayagam, S.","Ethyl 2-cyano-2-{(<i>Z</i>)-2-[2,2-dicyano-1-(4-methylphenyl)ethyl]cyclohexylidene}acetate","IUCrData","2021","6","5","x210500","","10.1107/S2414314621005009","","","0.71073","MoKα","","0.0919","0.0636","","","0.1805","0.2105","","","","","","0.973","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:35",""
"1562819","7.3179","0.0004","8.0093","0.0004","17.5057","0.0009","91.8513","0.0018","92.9102","0.0018","116.684","0.0016","913.82","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[2,2'-({[2-(Dimethylamino)ethyl]azanediyl}bis(methylene))bis(4,6-difluorophenolato)]dioxidomolybdenum(VI))","","- C18 H18 F4 Mo N2 O4 -","- C18 H18 F4 Mo N2 O4 -","- C36 H36 F8 Mo2 N4 O8 -","2","1","PK4033","Bowen, Christina L.; Wile, Bradley M.","Dioxidomolybdenum(VI) complex featuring a 2,4-difluoro-substituted amine bis(phenolate) ligand","IUCrData","2021","6","5","x210516","","10.1107/S2414314621005162","","","0.71073","MoKα","","0.0219","0.0192","","","0.0478","0.049","","","","","","1.121","","","","has coordinates,has Fobs","265455","2021-05-22","05:18:56",""
"1562858","13.088","0.0018","13.8413","0.0018","22.771","0.003","75.588","0.005","76.138","0.004","74.316","0.004","3780.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-methylimidazole)[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-\ nicotinamidophenyl)porphinato]iron(II)‒1-methylimidazole‒tetrahydrofuran (1/1/1.5)","","- C86 H74 Fe N18 O5.5 -","- C86 H74 Fe N18 O5.5 -","- C172 H148 Fe2 N36 O11 -","2","1","BH4061","Fan, Yingying; Li, Jianfeng","Bis(1-methylimidazole)[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-nicotinamidophenyl)porphinato]iron(II)‒1-methylimidazole‒tetrahydrofuran (1/1/1.5)","IUCrData","2021","6","5","","","10.1107/S2414314621005319","","","0.71073","MoKα","","0.1024","0.0701","","","0.1943","0.2187","","","","","","1.032","","","","has coordinates,has Fobs","265500","2021-05-26","05:38:00",""
"1562967","6.919","0.002","9.653","0.003","19.319","0.006","90","","90","","90","","1290.3","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","HB4383","Yang, Xing; Long, Sihui","Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate","IUCrData","2021","6","5","x210539","","10.1107/S2414314621005393","","","0.71073","MoKα","","0.0783","0.0475","","","0.1256","0.1441","","","","","","1.011","","","","has coordinates,has Fobs","265615","2021-05-29","05:36:01",""
"1563166","9.652","0.003","14.867","0.006","17.914","0.006","94.222","0.007","103.853","0.005","100.292","0.004","2437.4","1.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)bis(4-{(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium) dibromide ethanol 0.67-solvate","","- C33.33333 H40 Br2 N4 O0.66667 -","- C33.3333 H40 Br2 N4 O0.666667 -","- C100 H120 Br6 N12 O2 -","3","1.5","HB4370","Wang, Shengnan; Liu, Gang; Wu, Zhichao","1,1'-(Ethane-1,2-diyl)bis(4-{(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium) dibromide ethanol 0.67-solvate","IUCrData","2021","6","6","x210396","","10.1107/S2414314621003965","","","0.71073","MoKα","","0.1186","0.0524","","","0.1231","0.1528","","","","","","0.963","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1563167","6.4973","0.0002","11.5323","0.0005","11.2908","0.0005","90","","91.5","0.004","90","","845.72","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","PK4034","Gao, Jun; Long, Sihui","Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate","IUCrData","2021","6","6","x210555","","10.1107/S2414314621005551","","x-ray","1.54184","CuKα","","0.0512","0.0464","","","0.1249","0.1292","","","","","","1.108","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:53",""
"1563168","17.059","0.001","8.7467","0.0004","18.855","0.001","90","","111.468","0.004","90","","2618.2","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","(<i>S</i>)-Alanine ethyl ester tetracyanidoborate","1-Ethoxy-1-oxopropan-2-aminium tetracyanoborate","","- C9 H12 B N5 O2 -","- C9 H12 B N5 O2 -","- C72 H96 B8 N40 O16 -","8","2","HB4385","Peppel, Tim; Köckerling, Martin","(<i>S</i>)-Alanine ethyl ester tetracyanidoborate, (C~5~H~12~NO)[B(CN)~4~]","IUCrData","2021","6","6","x210562","","10.1107/S2414314621005629","","","0.71073","MoKα","","0.0857","0.0531","","","0.1155","0.1328","","","","","","1.003","","","","has coordinates,has Fobs","265829","2021-06-05","05:47:10",""
"1563374","17.4184","0.0015","10.2177","0.0008","18.5136","0.0016","90","","109.164","0.003","90","","3112.4","0.5","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","","- C34 H41 B F4 N2 P Rh -","- C34 H41 B F4 N2 P Rh -","- C136 H164 B4 F16 N8 P4 Rh4 -","4","1","WM4147","Rood, Jeffrey A.; Subedi, Chhatra B.; Risell, John P.; Astashkin, Andrei V.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","IUCrData","2021","6","6","x210597","","10.1107/S2414314621005976","","","0.71073","MoKα","","0.0164","0.0161","","","0.0404","0.0406","","","","","","1.045","","","","has coordinates,has Fobs","266416","2021-06-12","05:10:39",""
"1563506","6.2434","0.0003","21.3584","0.001","6.8938","0.0003","90","","93.118","0.002","90","","917.92","0.07","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H15 N3 O8 -","- C19 H15 N3 O8 -","- C38 H30 N6 O16 -","2","1","BH4062","Howarth, Alexis; Barbosa, Tony J.; Zeller, Matthias; Hillesheim, Patrick C.","Pyridinium 3-nitrobenzoate‒3-nitrobenzoic acid (1/1)","IUCrData","2021","6","6","x210581","","10.1107/S2414314621005812","","","0.71073","MoKα","","0.0564","0.0439","","","0.0995","0.107","","","","","","1.052","","","","has coordinates,has Fobs","266483","2021-06-16","04:54:48",""
"1563507","6.4514","0.0003","7.0785","0.0004","13.3144","0.0007","78.906","0.002","85.276","0.002","79.628","0.002","586.19","0.05","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","3-(4-Methylphenyl)-4<i>H</i>-chromen-4-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","HB4386","Yoo, Miri; Koh, Dongsoo","3-(4-Methylphenyl)-4<i>H</i>-chromen-4-one","IUCrData","2021","6","6","x210590","","10.1107/S2414314621005903","","","0.71073","MoKα","","0.0525","0.0444","","","0.1176","0.1241","","","","","","1.058","","","","has coordinates,has Fobs","266484","2021-06-16","04:55:11",""
"1563716","9.7965","0.0002","10.101","0.0002","13.0974","0.0003","81.081","0.002","70.906","0.002","63.321","0.002","1094.3","0.05","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","Tetraammonium bis(metforminium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) hexahydrate","","- C8 H52 N14 O34 V10 -","- C8 H52 N14 O34 V10 -","- C8 H52 N14 O34 V10 -","1","0.5","IM4012","Polito-Lucas, J. Alberto; Núñez-Ávila, José A.; Bernès, Sylvain; Pérez-Benítez, Aarón","Tetraammonium bis(metforminium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) hexahydrate","IUCrData","2021","6","6","x210634","","10.1107/S2414314621006349","","x-ray","0.56083","AgKα","","0.0331","0.0254","","","0.0737","0.0782","","","","","","1.063","","","","has coordinates,has Fobs","266720","2021-06-26","06:08:46",""
"1563818","7.4909","0.0006","10.9201","0.0009","20.472","0.0017","89.07","0.007","80.799","0.006","71.451","0.006","1566.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(2,5-diiodo-4-methylphenyl)methyl]phosphonate","","- C12 H17 I2 O3 P -","- C12 H17 I2 O3 P -","- C48 H68 I8 O12 P4 -","4","2","BT4116","Schollmeyer, Dieter; Sadovski, Oleg; Detert, Heiner","Diethyl [(2,5-diiodo-4-methylphenyl)methyl]phosphonate","IUCrData","2021","6","6","x210654","","10.1107/S2414314621006544","","","0.71073","MoKα","","0.1265","0.0754","","","0.1534","0.1857","","","","","","1.085","","","","has coordinates,has Fobs","266844","2021-07-01","05:28:48",""
"1563819","8.0175","0.0002","14.4611","0.0003","18.5612","0.0004","90","","90","","90","","2152.02","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","","- C11 H12 N2 O S -","- C11 H12 N2 O S -","- C88 H96 N16 O8 S8 -","8","1","XU4044","Abou, Akoun; Bamba, Fanté; Marrot, Jérôme; Yaya, Soro; Coustard, Jean-Marie","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","IUCrData","2021","6","6","x210674","","10.1107/S241431462100674X","","","0.71073","MoKα","","0.0534","0.0414","","","0.113","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","266845","2021-07-01","05:29:24",""
"1564104","16.627","0.006","18.03","0.007","21.293","0.008","90","","90","","90","","6383","4","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","","- C32 H24 B N10 Ni O4 -","- C32 H25 B N10 Ni O4 -","- C256 H200 B8 N80 Ni8 O32 -","8","1","BV4040","Salerno, Elvin V.; Kadel, Lava R.; Eichhorn, David M.","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","IUCrData","2021","6","7","x210690","","10.1107/S2414314621006908","","x-ray","0.71073","MoKα","","0.0868","0.0479","","","0.1229","0.1464","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","267459","2021-07-10","04:52:59",""
"1564220","9.5823","0.0006","9.5823","0.0006","8.038","0.0011","90","","90","","90","","738.05","0.12","100","","100","","","","","","","","","3","I -4","I -4","82","","Barium bis[tetrafluoridobromate(III)]","","- Ba Br2 F8 -","- Ba Br2 F8 -","- Ba4 Br8 F32 -","4","0.5","WM4148","Ivlev, Sergei I.; Kraus, Florian","Barium bis[tetrafluoridobromate(III)]","IUCrData","2021","6","7","x210735","","10.1107/S2414314621007355","","x-ray","1.54186","CuKα","","0.0538","0.0492","","","0.1239","0.1268","","","","","","1.077","","","","has coordinates,has Fobs","267671","2021-07-21","05:40:01",""
"1564221","9.3911","0.0008","9.3911","0.0008","8.6576","0.0009","90","","90","","120","","661.24","0.11","123","2","123","2","","","","","","","","5","P -3 1 m","-P 3 2","162","","Hexaaquadodeca-μ~2~-chlorido-<i>octahedro</i>-hexaniobium diiodide","","- Cl12 H12 I2 Nb6 O6 -","- Cl12 H12 I2 Nb6 O6 -","- Cl12 H12 I2 Nb6 O6 -","1","0.0833333","BT4115","Schröder, Florian; Köckerling, Martin","Hexaaquadodeca-μ2-chlorido-octahedro-hexaniobium diiodide","IUCrData","2021","6","7","x210696","","10.1107/S2414314621006969","","","0.71073","MoKα","","0.0131","0.013","","","0.0335","0.0335","","","","","","1.376","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:53",""
"1564318","27.7659","0.0008","5.9001","0.0002","23.9758","0.0007","90","","97.4152","0.0014","90","","3894.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Methylenebis(4-<i>tert</i>-butylpyridinium) dichloride hemihydrate","","- C19 H29 Cl2 N2 O0.5 -","- C19 H29 Cl2 N2 O0.5 -","- C152 H232 Cl16 N16 O4 -","8","1","BT4117","Bruekers, J.P.J.; Elemans, J.A.A.W.; Nolte, R.J.M.; Tinnemans, P.","1,1′-Methylenebis(4-tert-butylpyridinium) dichloride hemihydrate","IUCrData","2021","6","8","x210768","","10.1107/S2414314621007689","","","0.71073","MoKα","","0.0657","0.049","","","0.1009","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:53",""
"1564361","9.9571","0.0004","14.4731","0.0006","21.473","0.0009","90","","102.62","0.002","90","","3019.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate","","- C28 H35 Br3 N2 Ni O0.5 P -","- C28 H35 Br3 N2 Ni O0.5 P -","- C112 H140 Br12 N8 Ni4 O2 P4 -","4","1","WM4149","Peppel, Tim; Köckerling, Martin","1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate","IUCrData","2021","6","8","x210818","","10.1107/S241431462100818X","","","0.71073","MoKα","","0.0367","0.0277","","","0.0634","0.0677","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","268077","2021-08-14","02:13:52",""
"1564362","9.4146","0.0013","11.9706","0.0017","13.702","0.002","90","","90","","90","","1544.2","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-\ 1,2,4-triazol-5-ylidene)rhodium(I)","","- C14 H23 Br0.16 Cl0.84 N3 Rh -","- C14 H23 Br0.154 Cl0.846 N3 Rh -","- C56 H92 Br0.616 Cl3.384 N12 Rh4 -","4","1","WM4151","Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)rhodium(I)","IUCrData","2021","6","8","x210811","","10.1107/S2414314621008117","","","0.71073","MoKα","","0.0316","0.0265","","","0.0558","0.0574","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","268078","2021-08-14","02:14:20",""
"1564368","10.7158","0.0017","13.075","0.002","13.2554","0.0019","77.68","0.005","78.11","0.005","67.114","0.006","1655.9","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","(4-Benzyl-1-methyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate","","- C36 H38 B F4 Ir N3 P -","- C36 H38 B F4 Ir N3 P -","- C72 H76 B2 F8 Ir2 N6 P2 -","2","1","WM4152","Newman, Elliott B.; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","(4-Benzyl-1-methyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate","IUCrData","2021","6","8","x210836","","10.1107/S2414314621008361","","","0.71073","MoKα","","0.0301","0.0229","","","0.0488","0.0516","","","","","","1.047","","","","has coordinates,has Fobs","268122","2021-08-18","02:27:15",""
"1564428","9.3839","0.0011","9.9442","0.0011","24.348","0.003","95.154","0.005","92.64","0.005","99.414","0.005","2228.1","0.5","228","2","228","2","","","","","","","","6","P -1","-P 1","2","Na2Mn(THF)7[Fe2(CO)8]","Poly[octacarbonylheptakis(tetrahydrofuran)diironmanganesedisodium(2 <i>Mn</i>—<i>Fe</i>)]","","- C36 H56 Fe2 Mn Na2 O15 -","- C36 H48 Fe2 Mn Na2 O15 -","- C72 H96 Fe4 Mn2 Na4 O30 -","2","1","TK4070","Harakas, George N.; Whittlesey, Bruce R.","Poly[octacarbonylheptakis(tetrahydrofuran)diironmanganesedisodium(2 Mn—Fe)]","IUCrData","2021","6","8","x210845","","10.1107/S2414314621008452","","","0.71073","MoKa","","0.1121","0.0897","","","0.2031","0.2169","","","","","","1.121","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:54",""
"1564549","9.1794","0.0018","9.4642","0.0019","11.665","0.002","101.78","0.03","107.81","0.03","93.57","0.03","936","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate","","- C19 H23 N3 O S2 -","- C19 H23 N3 O S2 -","- C38 H46 N6 O2 S4 -","2","1","HB4387","Guo, Hui; Du, Wenli; Zhou, Haoyu","(E)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate","IUCrData","2021","6","9","x210901","","10.1107/S2414314621009019","","","0.71073","MoKα","","0.0564","0.0388","","","0.0905","0.0968","","","","","","0.921","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:54",""
"1564689","8.1297","0.0004","11.8232","0.0006","15.7213","0.0009","90","","90","","90","","1511.12","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","HB4390","Schmidt, Ann-Christin; Iovkova, Lyuba; Hiersemann, Martin","(2<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate","IUCrData","2021","6","9","x210951","","10.1107/S2414314621009512","","","1.54178","CuKα","","0.0234","0.0233","","","0.0601","0.0601","","","","","","1.066","","","","has coordinates,has Fobs","269206","2021-09-18","02:18:01",""
"1564690","11.3656","0.0009","7.0636","0.0005","26.035","0.002","90","","100.148","0.003","90","","2057.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[(<i>E</i>)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]\ benzylidene}amino)oxy]acetate","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","HB4391","Sung, Jiha","Ethyl 2-[(<i>E</i>)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]benzylidene}amino)oxy]acetate","IUCrData","2021","6","9","x210950","","10.1107/S2414314621009500","","","0.71073","MoKα","","0.0545","0.0458","","","0.1245","0.133","","","","","","1.056","","","","has coordinates,has Fobs","269207","2021-09-18","02:18:28",""
"1564724","7.6009","0.0003","7.6009","0.0003","7.8187","0.0005","90","","90","","120","","391.2","0.03","296","","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Icosaaluminium pentamanganese nickel","","- Al20 Mn5.37 Ni1.31 -","- Al20 Mn5.37 Ni1.314 -","- Al20 Mn5.37 Ni1.314 -","1","0.0416667","WM4153","Hu, Qifa; Wen, Bin; Fan, Changzeng","Crystal structure of the Al20Mn5.37Ni1.31 phase in the Al–Mn–Ni system","IUCrData","2021","6","9","x210981","","10.1107/S2414314621009810","","","0.71073","MoKα","","0.0176","0.0159","","","0.033","0.0333","","","","","","1.202","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:54",""
"1564791","17.1405","0.0008","8.3052","0.0004","18.5156","0.0008","90","","102.347","0.004","90","","2574.8","0.2","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate","","- C15 H16 N O1.5 -","- C15 H16 N O1.5 -","- C120 H128 N8 O12 -","8","1","XU4045","Diop, Aboubacar; Diop, Tidiane; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay; Ennio, Zangrando; Sidibé, Mamadou","(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate","IUCrData","2021","6","9","x210989","","10.1107/S2414314621009895","","","0.71073","MoKα","","0.0568","0.0432","","","0.1123","0.1225","","","","","","1.049","","","","has coordinates,has Fobs","269420","2021-10-01","02:18:57",""
"1564915","8.645","0.0005","9.166","0.0005","9.3403","0.0005","67.433","0.001","72.887","0.001","63.062","0.001","602.75","0.06","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)","","- C16 H10 F6 I6 N2 -","- C16 H10 F6 I6 N2 -","- C16 H10 F6 I6 N2 -","1","0.5","BV4042","Hajjar, Christelle; Ovens, Jeffrey S.; Bryce, David L.","1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)","IUCrData","2021","6","10","x211044","","10.1107/S2414314621010440","","","0.71073","MoKα","","0.0324","0.025","","","0.0456","0.0475","","","","","","1.023","","","","has coordinates,has Fobs","269943","2021-10-14","02:45:38",""
"1564916","7.0204","0.0006","7.7661","0.0006","10.5392","0.0008","97.733","0.001","109.293","0.001","90.217","0.001","536.69","0.07","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4,5-dichlorophthalate","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C20 H16 Cl4 O8 -","2","1","BV4041","Hickstein, Daniel D.; Reinheimer, Eric W.; Johnson, Adam R.; O'Leary, Daniel J.","Dimethyl 4,5-dichlorophthalate","IUCrData","2021","6","10","x211043","","10.1107/S2414314621010439","","","0.71073","MoKα","","0.0274","0.0256","","","0.0716","0.0731","","","","","","1.042","","","","has coordinates,has Fobs","269944","2021-10-14","02:46:09",""
"1564917","14.5188","0.0011","7.7744","0.0007","18.07","0.0016","90","","110.447","0.0018","90","","1911.1","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-(3,5-Dichlorophenyl)-N,N-diphenylaniline","3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine","","- C24 H17 Cl2 N -","- C24 H17 Cl2 N -","- C96 H68 Cl8 N4 -","4","1","HB4393","Patel, Dinesh G.; Cox, Jordan M.; Bender, Branden M.; Benedict, Jason B.","3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine","IUCrData","2021","6","10","x211016","","10.1107/S2414314621010166","","x-ray","0.71073","MoKα","","0.0694","0.0444","","","0.1053","0.1163","","","","","","1.018","","","","has coordinates,has Fobs","269945","2021-10-14","02:46:49",""
"1565023","7.9335","0.0003","7.6255","0.0003","18.3875","0.0007","90","","99.0734","0.0014","90","","1098.47","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(Methylsulfonyl)oxy]pyridin-1-ium methanesulfonate","","- C7 H11 N O6 S2 -","- C7 H11 N O6 S2 -","- C28 H44 N4 O24 S8 -","4","1","HB4392","Taeufer, Tobias; Spannenberg, Anke; Pospech, Jola","1-[(Methylsulfonyl)oxy]pyridin-1-ium methanesulfonate","IUCrData","2021","6","10","x211026","","10.1107/S2414314621010269","","","0.71073","MoKα","","0.0484","0.0354","","","0.0898","0.098","","","","","","1.054","","","","has coordinates,has Fobs","270050","2021-10-20","02:42:35",""
"1565642","8.6799","0.0008","11.4092","0.001","14.721","0.0013","90.308","0.007","103.619","0.007","93.801","0.007","1413.4","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato-κ^5^<i>O</i>,<i>S</i>,<i>N</i>^1^,<i>S</i>',<i>O</i>':κ^5^<i>O</i>'',<i>S</i>'',<i>N</i>^4^,<i>S</i>''',<i>O</i>''')bis[aquanickel(II)] heptahydrate","","- C16 H34 N2 Ni2 O17 S4 -","- C16 H34 N2 Ni2 O17 S4 -","- C32 H68 N4 Ni4 O34 S8 -","2","1","","Pacifico, Jessica; Stoeckli-Evans, Helen","(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)bis[aquanickel(II)] heptahydrate","IUCrData","2021","6","12","x211295","","10.1107/S2414314621012955","","","0.71073","MoKα","","0.0569","0.0393","","","0.0891","0.0964","","","","","","1.022","","","","has coordinates,has Fobs","271318","2021-12-10","03:16:32",""
"1565824","3.7924","0.0003","19.8932","0.0018","6.3155","0.0005","90","","91.084","0.006","90","","476.37","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Thiazole-4-carbonitrile","","- C4 H2 N2 S -","- C4 H2 N2 S -","- C16 H8 N8 S4 -","4","1","HB4395","Fait, Martin J. G.; Spannenberg, Anke; Kondratenko, Evgenii V.; Linke, David","1,3-Thiazole-4-carbonitrile","IUCrData","2021","6","12","x211332","","10.1107/S2414314621013328","","","1.54178","CuKα","","0.0406","0.0379","","","0.0948","0.097","","","","","","1.092","","","","has coordinates,has Fobs","271583","2021-12-22","03:27:13",""
"1565825","6.732","0.0005","7.7574","0.0005","10.6128","0.0008","82.458","0.006","72.596","0.005","65.476","0.005","481.13","0.06","296","2","296.15","","","","","","","","","3","P 1","P 1","1","","Methyl α-<i>l</i>-sorboside monohydrate","","- C7 H16 O7 -","- C7 H16 O7 -","- C14 H32 O14 -","2","2","BV4043","Matsumoto, Mao; Nagayama, Natsumi; Hirose, Ryo; Takeshita, Kei; Ishii, Tomohiko","Methyl α-<small>L</small>-sorboside monohydrate","IUCrData","2021","6","12","x211325","","10.1107/S2414314621013250","","","1.54187","CuKα","","0.0488","0.0478","","","0.1237","0.1249","","","","","","1.128","","","","has coordinates,has Fobs","271584","2021-12-22","03:27:41",""
"1565893","12.4069","0.0017","14.0221","0.0019","16.934","0.002","91.459","0.003","91.205","0.003","90.613","0.003","2944.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido(η^6^-<i>p</i>-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)","","- C31 H35 Cl2 O3 P Ru -","- C31 H35 Cl2 O3 P Ru -","- C124 H140 Cl8 O12 P4 Ru4 -","4","2","TK4072","Davis, Wade L.; Muller, Alfred","Dichlorido(η6-p-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)","IUCrData","2021","6","12","x211259","","10.1107/S2414314621012591","","","0.71073","MoKα","","0.0795","0.0697","","","","0.1809","","","","","","1.092","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:54",""
"1565983","7.6135","0.0003","23.9582","0.0011","12.4828","0.0006","90","","90","","90","","2276.93","0.18","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al61.49 Mn11.35 Ni4 -","- Al61.486 Mn11.354 Ni4 -","- Al122.972 Mn22.708 Ni8 -","2","0.125","WM4158","Hu, Qifa; Wen, Bin; Fan, Changzeng","The Al~61.49~Mn~11.35~Ni~4~ phase in the Al–Mn–Ni system","IUCrData","2022","7","1","x220038","","10.1107/S2414314622000384","","","0.71073","MoKα","","0.0556","0.039","","","0.0876","0.0945","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","272821","2022-02-06","04:45:35",""
"1565984","16.53","0.1","12.81","0.05","13.46","0.07","90","","90","","90","","2850","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Sulfonylbis(bromomethylene)]dibenzene","","- C14 H12 Br2 O2 S -","- C14 H12 Br2 O2 S -","- C112 H96 Br16 O16 S8 -","8","1","WM4157","Corfield, Peter W. R.","[Sulfonylbis(bromomethylene)]dibenzene","IUCrData","2022","7","1","x211351","","10.1107/S2414314621013511","","","0.7107","MoKα","","0.0632","0.046","","","0.099","0.1054","","","","","","1.104","","","","has coordinates,has Fobs","272058","2022-01-15","02:54:41",""
"1565985","6.3657","0.0005","8.1428","0.0007","12.1896","0.0011","72.595","0.002","89.376","0.002","87.805","0.002","602.47","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II)","","- C22 H26 Cu N8 O4 -","- C22 H26 Cu N8 O4 -","- C22 H26 Cu N8 O4 -","1","0.5","WM4159","Liu, Lin; Han, Zheng-Bo","Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II)","IUCrData","2022","7","1","x220046","","10.1107/S2414314622000463","","","0.71073","MoKα","","0.0475","0.0377","","","0.0874","0.0926","","","","","","1.03","","","","has coordinates,has Fobs","272059","2022-01-15","02:55:00",""
"1566189","4.785","0.004","13.523","0.011","13.254","0.011","90","","93.94","0.009","90","","855.6","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","lactosamine","β-<i>D</i>-Galactopyranosyl-(1→4)–2-amino-2-deoxy-α-<i>D</i>-glucopyranose hydrochloride monohydrate","","- C12 H26 Cl N O11 -","- C12 H26 Cl N O11 -","- C24 H52 Cl2 N2 O22 -","2","1","GG4007","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","β-<small>D</small>-Galactopyranosyl-(1→ 4)–2-amino-2-deoxy-α-<small>D</small>-glucopyranose hydrochloride monohydrate (lactosamine)","IUCrData","2022","7","1","x220061","","10.1107/S241431462200061X","","","0.71073","MoKα","","0.1519","0.0658","","","0.1067","0.1312","","","","","","1.01","","","","has coordinates,has Fobs","272347","2022-01-29","03:14:28",""
"1566249","13.386","0.003","6.0085","0.0007","17.843","0.003","90","","108.657","0.015","90","","1359.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[dipotassium [(μ~6~-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]","","- C16 H26.4 Ag2 K2 N2 O13.2 S4 -","- C16 H16 Ag2 K2 N2 O13.2 S4 -","- C32 H32 Ag4 K4 N4 O26.4 S8 -","2","0.5","","Pacifico, Jessica; Stoeckli-Evans, Helen","Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]","IUCrData","2022","7","2","x220077","","10.1107/S2414314622000773","","","0.71073","MoKα","","0.0539","0.0482","","","0.1106","0.1135","","","","","","1.165","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:55",""
"1566307","9.915","0.0002","7.2523","0.0002","11.9573","0.0003","90","","98.558","0.002","90","","850.23","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxybenzenaminium acetate","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","VM4050","Moussa Slimane, Nabila; Benarous, Nesrine; Bougueria, Hassiba; Cherouana, Aouatef","2-Hydroxybenzenaminium acetate","IUCrData","2022","7","2","x220112","","10.1107/S2414314622001122","","","0.71073","MoKα","","0.0431","0.0375","","","0.1029","0.1087","","","","","","1.046","","","","has coordinates,has Fobs","272553","2022-02-04","03:35:26",""
"1566374","9.5487","0.0004","11.4141","0.0004","15.0254","0.0006","107.486","0.002","94.791","0.002","111.423","0.002","1419.16","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1-)]nickel(II)","Bis[1,2-bis(4-chlorophenyl)-2-sulfanylideneethane-1-thiolato]nickel(II)","","- C28 H16 Cl4 Ni S4 -","- C28 H16 Cl4 Ni S4 -","- C56 H32 Cl8 Ni2 S8 -","2","1","GG4008","Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P.","Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II)","IUCrData","2022","7","2","x220148","","10.1107/S2414314622001481","","","0.71073","MoKα","","0.0625","0.0404","","","0.0976","0.112","","","","","","1.026","","","","has coordinates,has Fobs","273019","2022-02-18","03:22:37",""
"1566375","36.615","0.0018","8.0709","0.0003","36.282","0.003","90","","90.863","0.005","90","","10720.7","1.1","120","2","120","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","13,13'-Bi(dibenzo[<i>b</i>,<i>i</i>]fluorenylidene)","","- C42 H24 -","- C42 H24 -","- C672 H384 -","16","2","BT4120","Schollmeyer, Dieter; Detert, Heiner","13,13'-Bi(dibenzo[<i>a</i>,<i>i</i>]fluorenylidene)","IUCrData","2022","7","2","x220169","","10.1107/S2414314622001699","","","0.71073","MoKα","","0.1459","0.0723","","","0.182","0.2281","","","","","","1.033","","","","has coordinates,has Fobs","273020","2022-02-18","03:23:15",""
"1566403","12.1115","0.0002","10.6282","0.0002","17.4772","0.0003","90","","127.723","0.001","90","","1779.48","0.06","293","","293","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-aminobenzimidazolium) sulfate monohydrate","","- C14 H18 N6 O5 S -","- C14 H18 N6 O5 S -","- C56 H72 N24 O20 S4 -","4","1","HB4397","Peña Hueso, Adrian; Esparza Ruiz, Adriana; Flores Parra, Angelina","Bis(2-aminobenzimidazolium) sulfate monohydrate","IUCrData","2022","7","2","x220172","","10.1107/S2414314622001729","","x-ray","0.71073","MoKα","","0.0922","0.0408","","0.1178","0.0496","0.0496","","","","","","1.0344","","","","has coordinates,has Fobs","273128","2022-02-23","03:24:08",""
"1566424","9.7089","0.0008","14.351","0.0012","14.2749","0.0015","90","","106.946","0.01","90","","1902.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C92 H76 N4 O20 -","4","1","HB4401","Surya Prakash Rao, H.; M, Prabakaran; Muthukumaran, Jayaraman","Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate","IUCrData","2022","7","2","x220199","","10.1107/S2414314622001997","","","0.71073","MoKα","","0.0729","0.046","","","0.133","0.1567","","","","","","0.952","","","","has coordinates,has Fobs","273176","2022-02-26","03:16:08",""
"1566425","11.5857","0.0006","7.0616","0.0004","16.6118","0.0009","90","","108.222","0.002","90","","1290.92","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C40 H52 Cl4 N12 O12 P4 -","4","1","TX4001","Chachlaki, Elpiniki; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride","IUCrData","2022","7","2","x220189","","10.1107/S2414314622001894","","","1.54178","CuKα","","0.045","0.0424","","","0.1252","0.1291","","","","","","1.109","","","","has coordinates,has Fobs","273177","2022-02-26","03:16:32",""
"1566560","7.4224","0.0013","7.4518","0.0011","8.4986","0.0016","105.726","0.007","97.426","0.009","112.383","0.007","403.85","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","4-Amidinopyridinium hexachloridostannate(IV) dihydrate","4-[Amino(iminiumyl)methyl]pyridin-1-ium hexachloridostannate(IV) dihydrate","","- C6 H13 Cl6 N3 O2 Sn -","- C6 H13 Cl6 N3 O2 Sn -","- C6 H13 Cl6 N3 O2 Sn -","1","0.5","HB4399","Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine","4-Amidinopyridinium hexachloridostannate(IV) dihydrate","IUCrData","2022","7","3","x220195","","10.1107/S241431462200195X","","","0.71073","MoKα","","0.0753","0.0458","","","0.0779","0.0852","","","","","","1.149","","","","has coordinates,has disorder,has Fobs","273320","2022-03-04","03:16:04",""
"1566561","7.4624","0.0002","8.4715","0.0002","10.1324","0.0002","101.434","0.001","90.043","0.001","107.554","0.001","597.34","0.02","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate","","- C10 H14 Cl10 N4 O2 Sn -","- C10 H14 Cl10 N4 O2 Sn -","- C10 H14 Cl10 N4 O2 Sn -","1","0.5","BH4066","Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine","Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate","IUCrData","2022","7","3","x220191","","10.1107/S2414314622001912","","","0.71073","MoKα","","0.029","0.0252","","","0.054","0.0566","","","","","","1.021","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:55",""
"1566594","10.816","0.002","7.0106","0.0015","13.169","0.003","90","","106.833","0.004","90","","955.8","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(Methyl-α-<i>D</i>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate","3-Ethenyl-1-(methyl-α-<i>D</i>-glucopyranosid-6-yl)imidazolium iodide dimethylformamide monosolvate","","- C15 H26 I N3 O6 -","- C15 H26 I N3 O6 -","- C30 H52 I2 N6 O12 -","2","1","VM4051","Lambrecht, Sina; Villinger, Alexander; Jopp, Stefan","1-(Methyl-α-<small>D</small>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate","IUCrData","2022","7","3","x220265","","10.1107/S2414314622002656","","","0.71073","MoKα","","0.0322","0.0283","","","0.0588","0.0603","","","","","","1.032","","","","has coordinates,has Fobs","273642","2022-03-11","03:34:45",""
"1566595","19.5585","0.0008","24.7224","0.001","29.8538","0.001","90","","90","","90","","14435.3","1","99.98","","99.98","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(Cryptand-222)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","","- C77 H83 Cl4 K Mn N6 O8 S -","- C77 H83 Cl4 K Mn N6 O8 S -","- C616 H664 Cl32 K8 Mn8 N48 O64 S8 -","8","1","BT4121","Yuan, Yiwen; Li, Jianfeng","([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","IUCrData","2022","7","3","x220241","","10.1107/S2414314622002413","","","0.71073","MoKα","","0.0899","0.049","","","0.0987","0.1153","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","273643","2022-03-11","03:35:28",""
"1566596","11.426","0.0005","9.0735","0.0003","15.5434","0.0005","90","","102.118","0.004","90","","1575.54","0.1","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate","","- C17 H15 B F4 N2 -","- C17 H15 B F4 N2 -","- C68 H60 B4 F16 N8 -","4","1","BH4067","Welton, Claire E.; Nesterov, Vladimir N.; Smucker, Bradley W.","1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate","IUCrData","2022","7","3","x220248","","10.1107/S2414314622002486","","x-ray","1.54184","CuKα","","0.1179","0.1081","","","0.366","0.3782","","","","","","1.634","","","","has coordinates,has disorder,has Fobs","273644","2022-03-11","03:35:58",""
"1566718","30.3989","0.0015","8.7177","0.0005","14.0581","0.0007","90","","115.367","0.002","90","","3366.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","1","TK4075","Meenatchi, C. Selva; Athimoolam, S.; Suresh, J.; Priya, R. Vishnu; Rubina, S. Raja; Bhandari, S. R.","(<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one","IUCrData","2022","7","3","x220283","","10.1107/S2414314622002838","","","0.71073","MoKα","","0.0509","0.0435","","","0.1148","0.1258","","","","","","1.065","","","","has coordinates,has Fobs","274096","2022-03-30","02:02:57",""
"1566728","7.1533","0.0016","11.936","0.003","9.004","0.002","90","","98.128","0.005","90","","761.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","","- C15 H14 Cl N5 O2 -","- C15 H14 Cl N5 O2 -","- C30 H28 Cl2 N10 O4 -","2","1","VM4052","Song, Jingjing; Jiang, Xinyu; Wang, Ziyi; Pei, Jingyao; Li, Hongsen","4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","IUCrData","2022","7","3","x220342","","10.1107/S241431462200342X","","","0.71073","MoKα","","0.0451","0.0418","","","0.0973","0.0998","","","","","","1.037","","","","has coordinates,has Fobs","274192","2022-04-01","02:24:28",""
"1566729","4.60717","0.00011","20.7275","0.0005","12.6444","0.0003","90","","91.911","0.002","90","","1206.81","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","XI4003","Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.","3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one","IUCrData","2022","7","3","x220332","","10.1107/S2414314622003327","","","1.54184","CuKα","","0.0497","0.0491","","","0.1194","0.1197","","","","","","1.248","","","","has coordinates,has Fobs","274193","2022-04-01","02:25:33",""
"1566768","6.0921","0.0003","8.5778","0.0005","18.726","0.0011","94.922","0.002","90.428","0.002","98.945","0.002","962.88","0.09","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(oxotremorine) fumarate bis(fumaric acid)","1-[4-(2-Oxopyrrolidin-1-yl)but-2-ynyl]pyrrolidinium (2<i>E</i>)-but-2-enedioate bis[(2<i>E</i>)-but-2-enedioic acid]","","- C36 H48 N4 O14 -","- C36 H48 N4 O14 -","- C36 H48 N4 O14 -","1","0.5","ZL4049","Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(oxotremorine) fumarate bis(fumaric acid)","IUCrData","2022","7","4","x220364","","10.1107/S2414314622003649","","","0.71073","MoKα","","0.0545","0.0421","","","0.1011","0.1089","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:55",""
"1566790","9.1574","0.0005","12.0339","0.0006","14.0667","0.0007","91.989","0.001","96.924","0.001","102.996","0.001","1496.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine bis(1,2,3,5-tetrafluoro-4,6-diiodobenzene)","","- C26 H13 F8 I4 N3 -","- C26 H13 F8 I4 N3 -","- C52 H26 F16 I8 N6 -","2","1","HB4404","Bosch, Eric; Bowling, Nathan P.","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/2)","IUCrData","2022","7","4","x220380","","10.1107/S2414314622003807","","","0.71073","MoKα","","0.0229","0.0202","","","0.0452","0.0463","","","","","","1.09","","","","has coordinates,has Fobs","274506","2022-04-13","02:14:29",""
"1566848","12.6886","0.0007","9.2655","0.0006","11.6024","0.0007","90","","105.374","0.002","90","","1315.24","0.14","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","HB4405","Pineda, Leslie W.; Ferllini, Natasha; Cabezas, Jorge A.","1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde","IUCrData","2022","7","4","x220401","","10.1107/S2414314622004011","","","0.71073","MoKα","","0.1055","0.0479","","","0.0975","0.1136","","","","","","1.01","","","","has coordinates,has Fobs","274655","2022-04-23","01:57:51",""
"1566849","20.1021","0.001","21.5505","0.0009","17.9807","0.0009","90","","90","","90","","7789.4","0.6","100.08","","100.08","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)","","- C50 H38 Mn N5 O3 -","- C50 H38 Mn N5 O3 -","- C400 H304 Mn8 N40 O24 -","8","1","WM4162","Cao, Hongli; Wang, Junwen; Li, Jianfeng","Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)","IUCrData","2022","7","4","x220386","","10.1107/S2414314622003868","","","0.71073","MoKα","","0.0752","0.0495","","","0.1278","0.148","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","274656","2022-04-23","01:58:28",""
"1566903","16.99261","0.00018","6.02635","0.00007","17.4076","0.0002","90","","107.831","0.0012","90","","1696.97","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl)sulfanyl]thiophene","","- C32 H29 Br N2 O10 S3 -","- C32 H29 Br N2 O10 S3 -","- C64 H58 Br2 N4 O20 S6 -","2","1","MW2186","Azzam, Rasha A.; Elgemeie, Galal H.; Gad, Nagwa M.; Jones, Peter G.","4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)sulfanyl]thiophene","IUCrData","2022","7","4","x220412","","10.1107/S2414314622004126","","x-ray","1.54184","CuKα","","0.0234","0.0232","","","0.0616","0.0618","","","","","","1.039","","","","has coordinates,has Fobs","274834","2022-05-03","02:39:25",""
"1566904","19.1257","0.001","9.3864","0.0005","10.0502","0.0006","90","","103.546","0.006","90","","1754.04","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate","","- C16 H20 Cl2 N2 O4 -","- C16 H20 Cl2 N2 O4 -","- C64 H80 Cl8 N8 O16 -","4","1","BH4068","Obidova, Nodira; Ashurov, Jamshid; Izotova, Lidiya; Ibragimov, Bakhtiyar","2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate","IUCrData","2022","7","4","x220441","","10.1107/S2414314622004412","","","1.54184","CuKα","","0.0869","0.0505","","","0.1146","0.1344","","","","","","1.013","","","","has coordinates,has Fobs","274835","2022-05-03","02:39:53",""
"1567009","18.0776","0.0002","48.2301","0.0005","4.5424","0.0002","90","","90","","90","","3960.45","0.18","219.9","0.4","219.9","0.4","","","","","","","","4","F d d 2","F 2 -2d","43","","1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide","","- C21 H18 Br2 N4 -","- C21 H18 Br2 N4 -","- C168 H144 Br16 N32 -","8","0.5","BX4020","Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W.","1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide","IUCrData","2022","7","5","x220526","","10.1107/S2414314622005260","","x-ray","1.54178","CuKα","","0.0224","0.0223","","","0.0533","0.0533","","","","","","1.158","","","","has coordinates,has Fobs","275595","2022-05-21","02:15:44",""
"1567010","15.4863","0.0002","22.2936","0.0003","7.21","0.0001","90","","90","","90","","2489.22","0.06","219.9","0.4","219.9","0.4","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate","","- C25 H26 Br2 N4 O2 -","- C25 H26 Br2 N4 O2 -","- C100 H104 Br8 N16 O8 -","4","0.5","BX4021","Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W.","1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate","IUCrData","2022","7","5","x220525","","10.1107/S2414314622005259","","x-ray","1.54184","CuKα","","0.0414","0.0362","","","0.1006","0.1038","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","275596","2022-05-21","02:16:12",""
"1567011","6.1823","0.0003","24.9509","0.0011","12.7606","0.0006","90","","100.257","0.002","90","","1936.92","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Phenyliodosyl)benzene tosylate dihydrate","Oxodiphenyl-λ^5^-iodanylium 4-methylbenzenesulfonate dihydrate","","- C19 H21 I O6 S -","- C19 H21 I O6 S -","- C76 H84 I4 O24 S4 -","4","1","BH4069","Smith, Timothy J.; Koser, Gerald; Chen, Yi; Zeller, Matthias; Iacino, Rocco; Selzer, Nichole","(Phenyliodosyl)benzene tosylate dihydrate","IUCrData","2022","7","5","x220522","","10.1107/S2414314622005223","","","0.71073","MoKα","","0.0218","0.0183","","","0.0411","0.0424","","","","","","1.091","","","","has coordinates,has Fobs","275597","2022-05-21","02:16:47",""
"1567082","23.0488","0.0009","8.1149","0.0003","18.3223","0.0007","90","","104.454","0.001","90","","3318.5","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","TK4077","Zaoui, Younes; Assila, Hamza; Mague, Joel T.; Alsubari, Abdulsalam; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed","Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate","IUCrData","2022","7","6","x220582","","10.1107/S241431462200582X","","","0.71073","MoKα","","0.0625","0.0479","","","0.1484","0.1602","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:55",""
"1567083","4.3773","0.0007","13.585","0.002","14.057","0.003","90","","90","","90","","835.9","0.3","200","2","200","2","","","","","","","Lancaster Synthesis","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dibromo-4-methylaniline","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C28 H28 Br8 N4 -","4","1","HB4398","Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali","2,6-Dibromo-4-methylaniline","IUCrData","2022","7","6","x220577","","10.1107/S2414314622005776","","x-ray","0.71073","MoKα","","0.0446","0.0299","","","0.0663","0.0723","","","","","","0.909","","","","has coordinates,has Fobs","275905","2022-06-08","02:33:26",""
"1567144","19.3389","0.0007","18.1968","0.0007","34.039","0.001","90","","90","","90","","11978.5","0.7","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-\ hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","","- C32 H72 Cl12 I2 Nb6 O12 -","- C32 H72 Cl12 I2 Nb6 O12 -","- C256 H576 Cl96 I16 Nb48 O96 -","8","1","WM4165","Schröder, Florian; Köckerling, Martin","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","IUCrData","2022","7","6","x220618","","10.1107/S2414314622006186","","","0.71073","MoKα","","0.0804","0.0512","","","0.1167","0.1322","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","276081","2022-06-17","02:05:17",""
"1567182","8.9701","0.0003","13.2202","0.0005","14.0861","0.0005","99.609","0.003","103.133","0.003","107.676","0.003","1499","0.1","263","1","263","1","","","","","","","","5","P -1","-P 1","2","","Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate","","- C20 H70 N28 O34 V10 -","- C20 H70 N28 O34 V10 -","- C20 H70 N28 O34 V10 -","1","0.5","WM4167","Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain","Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate","IUCrData","2022","7","6","x220627","","10.1107/S2414314622006277","","x-ray","0.56083","AgKα","","0.0685","0.0402","","","0.0945","0.1012","","","","","","0.828","","","","has coordinates,has Fobs","276266","2022-06-25","01:57:05",""
"1567183","7.6531","0.0008","11.7862","0.0012","16.8371","0.0018","81.35","0.002","85.884","0.002","80.44","0.002","1478.9","0.3","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine","","- C8 H4 N4 Te2 -","- C8 H4 N4 Te2 -","- C48 H24 N24 Te12 -","6","3","HB4407","Franklin, Donna; Lee, Aundrea; Fronczek, Frank R.; Junk, Thomas","[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine","IUCrData","2022","7","6","x220622","","10.1107/S2414314622006228","","","0.71073","MoKα","","0.0276","0.024","","","0.0563","0.0577","","","","","","1.1","","","","has coordinates,has Fobs","276267","2022-06-25","01:58:02",""
"1567246","7.4296","0.0003","7.5187","0.0003","14.3206","0.0007","90","","94.184","0.001","90","","797.83","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Chloroisatin-3-oxime","(3<i>Z</i>)-5-Chloro-3-(hydroxyimino)indolin-2-one","","- C8 H5 Cl N2 O2 -","- C8 H5 Cl N2 O2 -","- C32 H20 Cl4 N8 O8 -","4","1","BX4003","Martins, Bianca Barreto; Gervini, Vanessa Carratu; Pires, Fabricio Carvalho; Bortoluzzi, Adailton João; de Oliveira, Adriano Bof","(3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one","IUCrData","2016","1","10","x161506","","10.1107/s2414314616015066","","x-ray","0.71073","MoKα","","0.0372","0.032","","","0.0902","0.0953","","","","","","1.052","","","","has coordinates,has Fobs","276691","2022-07-06","20:37:47",""
"1567248","7.908","0.007","7.441","0.008","9.88","0.009","90","","104.91","0.03","90","","561.8","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6,7-Dihydro-5<i>H</i>-pyrrolo[1,2-<i>a</i>]imidazole","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","WM4129","Morales-Collazo, Oscar; Lynch, Vincent M.; Brennecke, Joan F.","6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole","IUCrData","2020","5","5","x200681","","10.1107/s2414314620006811","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1167","0.1231","","","","","","1.05","","","","has coordinates,has Fobs","276715","2022-07-06","23:15:17",""
"1567378","26.85","0.001","15.6862","0.0006","13.5175","0.0006","90","","90.062","0.002","90","","5693.2","0.4","296","","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Henhexacontacopper dotriacontasulfur","","- Cu61.39 S32 -","- Cu61.385 S32 -","- Cu245.54 S128 -","4","1","WM4164","Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites","IUCrData","2022","7","7","x220694","","10.1107/S2414314622006940","","","0.71073","MoKα","","0.1139","0.0674","","","0.1152","0.1322","","","","","","0.952","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:56",""
"1567379","8.8585","0.0003","18.0405","0.0005","23.1961","0.0007","90","","90","","90","","3707","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C21 H19 N5 O3 -","- C21 H19 N5 O3 -","- C168 H152 N40 O24 -","8","1","BX4022","Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","IUCrData","2022","7","7","","","10.1107/S2414314622006939","","","1.54178","CuKα","","0.0438","0.0351","","","0.0816","0.0872","","","","","","1.048","","","","has coordinates,has Fobs","276905","2022-07-23","04:25:09",""
"1567380","35.832","0.005","10.2608","0.0015","22.034","0.003","90","","118.095","0.003","90","","7146.6","1.8","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate","","- C33 H58 B Cl2 F4 Ir N3 P -","- C33 H58 B Cl2 F4 Ir N3 P -","- C264 H464 B8 Cl16 F32 Ir8 N24 P8 -","8","1","WM4168","Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate","IUCrData","2022","7","7","x220685","","10.1107/S241431462200685X","","","0.71073","MoKα","","0.028","0.0219","","","0.0492","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","276906","2022-07-23","04:25:40",""
"1567381","6.1595","0.0005","6.1595","0.0005","6.1595","0.0005","90","","90","","90","","233.69","0.03","150","2","150","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tin tellurium selenide","","- Se0.27 Sn Te0.73 -","- Se0.27 Sn Te0.73 -","- Se1.08 Sn4 Te2.92 -","4","0.0208333","","Moris, Silvana; Galdámez, Antonio","Rerefinement of the crystal structure of SnTe~0.73(2)~Se~0.27(2)~ from single-crystal X-ray diffraction data","IUCrData","2022","7","7","x220729","","10.1107/S2414314622007295","","","0.71073","MoKα","","0.0447","0.0447","","","0.1149","0.1149","","","","","","1.485","","","","has coordinates,has Fobs","276907","2022-07-23","04:26:17",""
"1567405","14.4362","0.0004","21.3403","0.0006","9.2949","0.0003","90","","98.356","0.001","90","","2833.11","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Azido-<i>N</i>-(4-methylphenyl)acetamide","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C108 H120 N48 O12 -","12","3","TK4079","Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","2-Azido-<i>N</i>-(4-methylphenyl)acetamide","IUCrData","2022","7","7","x220621","","10.1107/S2414314622006216","","","1.54178","CuKα","","0.0756","0.0585","","","0.1615","0.1783","","","","","","1.045","","","","has coordinates,has Fobs","277015","2022-07-30","02:11:02",""
"1567501","8.478","0.0011","10.5773","0.0017","14.5191","0.0019","95.81","0.012","105.762","0.012","110.651","0.014","1144.1","0.3","170.1","0.5","170.1","0.5","","","","","","","","6","P -1","-P 1","2","4-Hexenylthiazole orange iodide monohydrate","1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate","","- C24 H27 I N2 O S -","- C24 H27 I N2 O S -","- C48 H54 I2 N4 O2 S2 -","2","1","HB4408","Shank, Nathaniel; Stadler, Andrea L.; Barrett, Sean P.; Padgett, Clifford W.","1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate","IUCrData","2022","7","8","x220797","","10.1107/S2414314622007970","","x-ray","0.71073","MoKα","","0.1233","0.0601","","","0.1337","0.1711","","","","","","1.03","","","","has coordinates,has Fobs","277319","2022-08-19","01:55:47",""
"1567532","41.574","0.003","8.6065","0.0007","18.2384","0.0014","90","","90","","90","","6525.8","0.9","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate","","- C34 H24 F10 Ir N4 O2 P -","- C34 H24 F10 Ir N4 O2 P -","- C272 H192 F80 Ir8 N32 O16 P8 -","8","1","ZL4051","Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A.","Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate","IUCrData","2022","7","8","x220830","","10.1107/S2414314622008306","","","1.54178","CuKα","","0.0317","0.0278","","","0.0639","0.0677","","","","","","1.163","","","","has coordinates,has Fobs","277425","2022-08-27","02:54:16",""
"1567533","8.3567","0.0003","7.0331","0.0002","16.5792","0.0006","90","","91.218","0.001","90","","974.2","0.06","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetracarbonyldi-μ-chlorido-dichloridobis(η^5^-cyclopentadienyl)diirondigallium(2 <i>Fe—Ga</i>)","","- C14 H10 Cl4 Fe2 Ga2 O4 -","- C14 H10 Cl4 Fe2 Ga2 O4 -","- C28 H20 Cl8 Fe4 Ga4 O8 -","2","0.5","BT4125","Harakas, George N.; Demmin, Mary Elizabeth","Tetracarbonyldi-μ-chlorido-dichloridobis(η^5^-cyclopentadienyl)diirondigallium(2 <i>Fe{—</i>Ga})","IUCrData","2022","7","8","x220832","","10.1107/S241431462200832X","","","0.71073","MoKa","","0.0547","0.0388","","","0.0812","0.0855","","","","","","1.208","","","","has coordinates,has disorder,has Fobs","277426","2022-08-27","02:54:58",""
"1567534","6.0155","0.0001","16.5935","0.0003","19.2093","0.0003","101.541","0.002","97.341","0.002","92.928","0.002","1857.47","0.06","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]","","- C41 H50 N2 O4 -","- C41 H50 N2 O4 -","- C82 H100 N4 O8 -","2","1","BV4044","Prapakaran, Tulasi; Murugavel, Ramaswamy","4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]","IUCrData","2022","7","8","x220793","","10.1107/S2414314622007933","","x-ray","0.71073","MoKα","","0.0619","0.0482","","","0.1166","0.1264","","","","","","1.027","","","","has coordinates","277427","2022-08-27","02:55:52",""
"1567606","12.1592","0.0008","18.926","0.0014","20.3097","0.0017","90","","91.474","0.003","90","","4672.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ethidium heptafluorobutyrate","3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium 2,2,3,3,4,4,4-heptafluorobutyrate","","- C25 H20 F7 N3 O2 -","- C25 H20 F7 N3 O2 -","- C200 H160 F56 N24 O16 -","8","2","XU4048","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium heptafluorobutyrate","IUCrData","2022","7","9","x220884","","10.1107/S2414314622008847","","","0.71069","MoKα","","0.1146","0.0892","","","0.2023","0.2182","","","","","","1.107","","","","has coordinates,has Fobs","277751","2022-09-09","02:09:15",""
"1567607","6.3498","0.0005","9.8991","0.0009","11.5969","0.001","90","","105.817","0.003","90","","701.35","0.1","150","2","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-5-nitroimidazolium chloride","","- C4 H6 Cl N3 O2 -","- C4 H6 Cl N3 O2 -","- C16 H24 Cl4 N12 O8 -","4","1","TK4083","Bellia, Sophia; Anderson, Grace; Zeller, Matthias; Mirjafari, Arsalan; Hillesheim, Patrick C.","1-Methyl-5-nitroimidazolium chloride","IUCrData","2022","7","9","x220878","","10.1107/S2414314622008781","","","0.71073","MoKα","","0.0275","0.0255","","","0.0702","0.0715","","","","","","1.08","","","","has coordinates,has Fobs","277752","2022-09-09","02:10:02",""
"1567638","8.3312","0.0014","9.6506","0.0016","11.797","0.002","94.261","0.004","107.335","0.004","112.326","0.003","818.4","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","HB4411","Sung, Jiha","3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2022","7","9","x220885","","10.1107/S2414314622008859","","","0.71073","MoKα","","0.0967","0.0569","","","0.1321","0.2044","","","","","","1.128","","","","has coordinates,has Fobs","277824","2022-09-14","01:49:22",""
"1567639","7.4776","0.0001","19.104","0.0002","26.0919","0.0003","90","","90","","90","","3727.28","0.08","112.3","0.7","112.3","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H14 I2 N2 O2 -","- C20 H14 I2 N2 O2 -","- C160 H112 I16 N16 O16 -","8","1","GG4010","Blackwelder, Lauren A.; Kelley, Andrea R.; Balaich, Gary J.; Jefferies, Latisha R.","2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis(4-iodophenol)","IUCrData","2022","7","9","x220895","","10.1107/S2414314622008951","","x-ray","0.71073","MoKα","","0.0226","0.0202","","","0.0435","0.0443","","","","","","1.087","","","","has coordinates,has Fobs","277825","2022-09-14","01:50:16",""
"1567651","8.405","0.001","11.029","0.002","11.52","0.003","89.1","0.02","77.06","0.02","87.17","0.02","1039.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Isopropyl 4-aminobenzoate","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","2","HB4410","Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Divakara, Thayamma R.; Foro, Sabine; Butcher, Ray J.","Isopropyl 4-aminobenzoate","IUCrData","2022","7","9","x220904","","10.1107/S241431462200904X","","","0.71073","MoKα","","0.2383","0.0827","","","0.1032","0.1351","","","","","","0.975","","","","has coordinates,has Fobs","277912","2022-09-16","01:05:19",""
"1567691","19.0804","0.0017","4.6758","0.0003","10.1189","0.0008","90","","101.169","0.007","90","","885.67","0.12","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate","4-Hydroxyphenyl <i>N</i>-{4-[(4-hydroxyphenoxycarbonyl)amino]phenyl}carbamate","","- C20 H16 N2 O6 -","- C20 H16 N2 O6 -","- C40 H32 N4 O12 -","2","0.5","TK4084","Martínez-de la Luz, Isabel; López-Velázquez, Delia; Bernès, Sylvain; Varela Caselis, Jenaro L.","Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate","IUCrData","2022","7","9","x220919","","10.1107/S2414314622009191","","x-ray","0.56083","AgKα","","0.0855","0.0511","","","0.1544","0.1649","","","","","","1.064","","","","has coordinates","278240","2022-09-28","02:08:41",""
"1567692","8.2745","0.0005","7.9167","0.0006","23.0663","0.0017","90","","93.225","0.004","90","","1508.61","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","HB4413","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2022","7","9","x220924","","10.1107/S2414314622009245","","","0.71073","MoKα","","0.084","0.0507","","","0.1258","0.1497","","","","","","1.084","","","","has coordinates","278241","2022-09-28","02:09:04",""
"1567693","8.1891","0.0015","8.2417","0.0015","12.813","0.003","81.632","0.009","81.394","0.01","66.649","0.008","781.5","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","10-[(4-Nitrophenyl)ethynyl]-10<i>H</i>-phenothiazine","","- C20 H12 N2 O2 S -","- C20 H12 N2 O2 S -","- C40 H24 N4 O4 S2 -","2","1","BH4070","Okuno, Tsunehisa; Doi, Ikue","10-[(4-Nitrophenyl)ethynyl]-10<i>H</i>-phenothiazine","IUCrData","2022","7","9","x220942","","10.1107/S2414314622009427","","","0.71075","MoKα","","0.0476","0.0373","","","0.0921","0.0997","","","","","","1.091","","","","has coordinates","278242","2022-09-28","02:09:25",""
"1567694","15.8594","0.0007","5.0437","0.0002","40.6908","0.0017","90","","90.507","0.002","90","","3254.7","0.2","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","TK4085","Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one","IUCrData","2022","7","9","x220932","","10.1107/S2414314622009324","","","1.54178","CuKα","","0.0389","0.037","","","0.0962","0.0978","","","","","","1.034","","","","has coordinates","278243","2022-09-28","02:09:48",""
"1567720","7.6534","0.0016","8.6079","0.0015","11.369","0.002","94.433","0.007","97.953","0.008","97.019","0.007","732.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(3-Nitrophenyl)-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C36 H26 N2 O8 -","2","1","BT4126","Vinaya; Basavaraju, Yeriyur B.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","3-(3-Nitrophenyl)-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","IUCrData","2022","7","10","x220957","","10.1107/S2414314622009579","","","0.71073","MoKα","","0.0644","0.0459","","","0.1253","0.1367","","","","","","1.077","","","","has coordinates","279116","2022-11-08","19:41:33",""
"1567765","13.5215","0.0013","13.5537","0.0014","13.6079","0.0014","92.202","0.004","113.379","0.003","117.604","0.004","1951.3","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(C21H20N3)(C24H20B1)(C2H3N1)2","3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium tetraphenylborate acetonitrile disolvate","","- C49 H46 B N5 -","- C49 H46 B N5 -","- C98 H92 B2 N10 -","2","1","HB4412","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium tetraphenylborate acetonitrile disolvate","IUCrData","2022","7","10","x220951","","10.1107/S2414314622009518","","","0.71069","MoKα","","0.0752","0.0596","","","0.1365","0.1486","","","","","","1.033","","","","has coordinates","278546","2022-10-12","02:21:49",""
"1567766","11.8289","0.0006","16.7287","0.0008","17.7234","0.0009","116.207","0.0014","91.0059","0.0015","100.454","0.0015","3075.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","(1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate","","- C35 H57.5 N O3.25 -","- C35 H57.495 N O3.25 -","- C140 H229.98 N4 O13 -","4","4","BT4124","Campos Fernandez, Cristian; Procupez-Schtirbu, R.; Soto-Tellini, V. H.; Salazar, J. C.; Jancik, Vojtech","(1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate","IUCrData","2022","7","10","x220947","","10.1107/S2414314622009476","","","0.71073","MoKα","","0.0917","0.062","","","0.1125","0.1214","","","","","","1.074","","","","has coordinates,has disorder","278547","2022-10-12","02:22:38",""
"1567862","11.0149","0.0012","14.0459","0.0012","13.3983","0.0013","90","","109.205","0.012","90","","1957.5","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diferrocenyl-1,2-dithiole-3-thione","","- C23 H18 Fe2 S3 -","- C23 H18 Fe2 S3 -","- C92 H72 Fe8 S12 -","4","1","IM4016","Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Nuñez-Gordillo, Amairany; Klimova, Elena I.","4,5-Diferrocenyl-1,2-dithiole-3-thione","IUCrData","2022","7","10","x221011","","10.1107/S2414314622010112","","","0.71073","MoKα","","0.0636","0.0389","","","0.0674","0.0787","","","","","","1.038","","","","has coordinates","279117","2022-11-08","19:41:43",""
"1567863","10.7859","0.0013","14.5638","0.0016","14.9956","0.0014","90","","97.144","0.003","90","","2337.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","","- C28 H22 F N3 O S -","- C28 H22 F N3 O S -","- C112 H88 F4 N12 O4 S4 -","4","1","BT4127","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","5-(4-Fluorophenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2022","7","10","x221003","","10.1107/S2414314622010033","","","0.71073","MoKα","","0.0623","0.0427","","","0.1089","0.1237","","","","","","1.045","","","","has coordinates","278797","2022-10-26","02:27:38",""
"1567881","7.161","0.0016","26.271","0.006","7.7474","0.0017","90","","95.495","0.003","90","","1450.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Hydroxy-4-methylpyridinium chloride","","- C6 H8 Cl N O -","- C6 H8 Cl N O -","- C48 H64 Cl8 N8 O8 -","8","2","HB4415","Saini, Aarti; Dhanwant, Kisturi; Thirumoorthi, Ramalingam","1-Hydroxy-4-methylpyridinium chloride","IUCrData","2022","7","10","x221023","","10.1107/S2414314622010239","","","0.71073","MoKα","","0.0543","0.0423","","","0.1207","0.1293","","","","","","1.061","","","","has coordinates","278877","2022-10-29","12:27:42",""
"1567886","10.4177","0.0004","11.7104","0.0003","21.5388","0.0007","90","","99.964","0.003","90","","2588","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide","","- C26 H30 N6 O4 S -","- C26 H30 N6 O4 S -","- C104 H120 N24 O16 S4 -","4","1","HB4417","Mohamed-Ezzat, Reham A.; Kariuki, Benson M.; Azzam, Rasha A.","Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide","IUCrData","2022","7","11","x221033","","10.1107/S2414314622010331","","","0.71073","MoKα","","0.0666","0.0473","","","0.117","0.1299","","","","","","1.066","","","","has coordinates","278899","2022-11-01","12:35:35",""
"1567903","10.4436","0.0005","17.3961","0.0009","17.8229","0.0009","79.729","0.003","77.923","0.003","83.103","0.003","3104.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate","","- C63 H49 B2 F30 N4 O2 -","- C63 H49 B2 F30 N4 O2 -","- C126 H98 B4 F60 N8 O4 -","2","1","BT4128","Butcher, Ray J.; Purdy, Andrew P.","2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate","IUCrData","2022","7","11","x221049","","10.1107/S2414314622010495","","","0.71073","MoKα","","0.1262","0.0607","","","0.1124","0.1315","","","","","","1.002","","","","has coordinates","278949","2022-11-05","03:02:22",""
"1567932","13.9677","0.0011","9.7997","0.0005","18.4125","0.0014","90","","92.98","0.003","90","","2516.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-Methoxyphenyl)-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","","- C29 H25 N3 O3 S -","- C29 H25 N3 O3 S -","- C116 H100 N12 O12 S4 -","4","1","VM4053","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","5-(4-Methoxyphenyl)-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2022","7","11","x221047","","10.1107/S2414314622010471","","","0.71073","MoKα","","0.0777","0.0507","","","0.1305","0.1528","","","","","","1.045","","","","has coordinates,has disorder","279136","2022-11-09","03:15:48",""
"1567933","18.129","0.0006","11.0936","0.0005","17.9971","0.0007","90","","104.849","0.004","90","","3498.6","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(4-methylphenyl)diphenylphosphane-κ<i>P</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C38 H34 Ag N O3 P2 -","- C38 H34 Ag N O3 P2 -","- C152 H136 Ag4 N4 O12 P8 -","4","0.5","TK4086","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","Bis[(4-methylphenyl)diphenylphosphane-κ<i>P</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","IUCrData","2022","7","11","x221045","","10.1107/S2414314622010458","","x-ray","1.54184","CuKα","","0.0559","0.0475","","","0.1066","0.109","","","","","","1.062","","","","has coordinates","279137","2022-11-09","03:16:10",""
"1568658","11.338","0.0006","10.7346","0.0005","14.5503","0.001","90","","109.43","0.005","90","","1670.05","0.17","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Meloxicam hydrochloride or 4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazolium-2-yl)-2<i>H</i>-1,2-\ benzothiazine-3-carboxamide 1,1-dioxide chloride","2-(4-Hydroxy-2-methyl-1,1-dioxo-1,2-benzothiazine-3-amido)-5-methyl-1,3-thiazol-3-ium chloride","","- C14 H14 Cl N3 O4 S2 -","- C14 H14 Cl N3 O4 S2 -","- C56 H56 Cl4 N12 O16 S8 -","4","1","BX4023","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","Meloxicam hydrochloride","IUCrData","2023","8","3","x230202","","10.1107/S241431462300202X","","x-ray","0.56083","AgKα","","0.0721","0.0324","","","0.0652","0.0736","","","","","","0.832","","","","has coordinates","281868","2023-03-14","03:25:59",""
"1568659","8.4129","0.0001","22.9217","0.0004","8.6719","0.0001","90","","117.417","0.001","90","","1484.44","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","VM4058","El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one","IUCrData","2023","8","3","x230208","","10.1107/S2414314623002080","","","1.54178","CuKα","","0.0322","0.0299","","","0.0783","0.0801","","","","","","1.042","","","","has coordinates","281869","2023-03-14","03:26:28",""
"1568673","7.75558","0.0001","9.02843","0.0001","15.5656","0.0002","90","","90","","90","","1089.91","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-ol","","- C12 H13 F3 O2 -","- C12 H13 F3 O2 -","- C48 H52 F12 O8 -","4","1","TK4089","Radan, Kristian; Cotman, Andrej Emanuel; Lozinšek, Matic","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","IUCrData","2023","8","3","x230217","","10.1107/S2414314623002171","","x-ray","1.54184","CuKα","","0.0291","0.0288","","","0.0725","0.0727","","","","","","1.064","","","","has coordinates","281914","2023-03-16","03:37:12",""
"1568797","10.874","0.0008","7.0136","0.0006","12.2891","0.0012","90","","92.313","0.005","90","","936.48","0.14","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Methoxy-3-nitrophenyl)acetamide","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","HB4429","Hines III, James E.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.; Uppu, Rao M.","N-(4-Methoxy-3-nitrophenyl)acetamide","IUCrData","2023","8","4","x230298","","10.1107/S2414314623002985","","","1.54184","CuKα","","0.073","0.0588","","","0.1659","0.1762","","","","","","1.075","","","","has coordinates,has disorder","300370","2025-07-05","10:12:56",""
"1568824","8.436","0.002","10.75","0.003","11.338","0.003","113.913","0.005","97.392","0.004","98.975","0.005","907.2","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","","- C15 H13 F3 I N O7 -","- C15 H13 F3 I N O7 -","- C30 H26 F6 I2 N2 O14 -","2","1","TK4090","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","IUCrData","2023","8","4","x230300","","10.1107/S2414314623003000","","x-ray","0.71073","MoKα","","0.0925","0.0601","","","0.1307","0.1445","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:12:56",""
"1568825","10.7366","0.0003","9.5341","0.0004","22.6716","0.0007","90","","91.603","0.002","90","","2319.84","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{<i>N</i>-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","","- C28 H23 N O4 Si -","- C28 H23 N O4 Si -","- C112 H92 N4 O16 Si4 -","4","1","PK4039","Böhme, Uwe; Fels, Sabine","{N-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","IUCrData","2023","8","4","x230306","","10.1107/S2414314623003061","","","0.71073","MoKα","","0.0432","0.0365","","","0.0892","0.0947","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:12:57",""
"1568866","9.33514","0.00008","11.39118","0.00009","13.23961","0.00011","90","","90","","90","","1407.88","0.02","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trimethylphosphine oxide dihydrate","(Dimethylphosphoryl)methane dihydrate","","- C3 H13 O3 P -","- C3 H13 O3 P -","- C24 H104 O24 P8 -","8","1","HB4428","Urlep, Matic; Cerkovnik, Janez; Lozinšek, Matic","Trimethylphosphine oxide dihydrate","IUCrData","2023","8","4","x230314","","10.1107/S2414314623003140","","x-ray","1.54184","CuKα","","0.0212","0.0208","","","0.0571","0.0574","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:12:57",""
"1568933","19.2935","0.0007","4.6933","0.0002","18.7498","0.0007","90","","116.106","0.002","90","","1524.59","0.11","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Methyl-2-oxoquinoxalin-1-yl)-<i>N</i>-(4-methylphenyl)acetamide","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","VM4060","Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide","IUCrData","2023","8","4","x230357","","10.1107/S2414314623003577","","","1.54178","CuKα","","0.0706","0.057","","","0.1475","0.1577","","","","","","1.041","","","","has coordinates,has disorder","300370","2025-07-05","10:12:58",""
"1568934","17.8815","0.0013","12.5896","0.001","20.3917","0.0016","90","","112.01","0.0016","90","","4256","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-2,2'-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[<i>c</i>]pyrrol-5-one]}bis[tricarbonyliron(0)]","","- C34 H48 Fe2 N2 O8 Si4 -","- C34 H48 Fe2 N2 O8 Si4 -","- C136 H192 Fe8 N8 O32 Si16 -","4","1","BH4073","Huerta-Zerón, Hilario D.; Spannenberg, Anke; Beller, Matthias; Junge, Henrik","{μ-2,2′-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one]}bis[tricarbonyliron(0)]","IUCrData","2023","8","4","x230346","","10.1107/S2414314623003462","","","0.71073","MoKα","","0.07","0.038","","","0.083","0.0962","","","","","","1.001","","","","has coordinates","300370","2025-07-05","10:12:58",""
"1568935","6.3829","0.0007","12.6897","0.0008","15.9539","0.0017","90","","101.308","0.008","90","","1267.1","0.2","153","1","153","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(23<i>R</i>,23^1^<i>S</i>,25<i>S</i>)-23^1^,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","","- C29 H46 O3 -","- C29 H46 O3 -","- C58 H92 O6 -","2","1","BT4138","Guerrero-Luna, Gabriel; Hernández-Linares, María-Guadalupe; Cárdenas García, Maura; Bernès, Sylvain","(23R,231 S,25S)-231,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","IUCrData","2023","8","4","x230344","","10.1107/S2414314623003449","","x-ray","0.56083","AgKα","","0.1039","0.0425","","","0.0656","0.0769","","","","","","0.702","","","","has coordinates","300370","2025-07-05","10:12:58",""
"1568936","10.0432","0.0005","12.7045","0.0006","14.3846","0.0007","81.305","0.004","84.313","0.004","82.068","0.004","1791.19","0.15","153","2","153","","","","","","","","","4","P -1","-P 1","2","","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","","- C12 H24 B N -","- C12 H24 B N -","- C72 H144 B6 N6 -","6","3","IM4018","Herbig, Marcus; Böhme, Uwe","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","IUCrData","2023","8","4","x230332","","10.1107/S2414314623003322","","","0.71073","MoKα","","0.0572","0.0432","","","0.1035","0.1153","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:12:59",""
"1568964","8.3546","0.0004","12.4468","0.0005","15.4504","0.0006","85.54","0.002","79.66","0.002","76.997","0.002","1538.86","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","Bis{μ-1,1'-(<i>o</i>-xylylene)bis[4-(pyridin-2-yl)triazole]-κ<i>N</i>^3^:<i>N</i>^3'^}dipalladium(II) tetrakis(tetrafluoridoborate)–dimethylformamide–diethyl ether (1/2/1)","","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","1","0.5","","Pokharel, Uttam; Naquin, Aaron; Fronczek, Frank","Synthesis and crystal structure of a PdII complex of ortho-xylylenebis(pyridyltriazole)","IUCrData","2023","8","4","x230362","","10.1107/S2414314623003620","","","1.54184","CuKα","","0.0326","0.0289","","","0.0738","0.0759","","","","","","1.03","","","","has coordinates,has disorder","300370","2025-07-05","10:13:00",""
"1568965","9.5178","0.0017","10.1995","0.0019","14.589","0.002","81.516","0.006","83.142","0.006","72.351","0.007","1330.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>-Benzoyl-<i>N</i>-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","","- C32 H25 As N O3 Rh -","- C32 H25 As N O3 Rh -","- C64 H50 As2 N2 O6 Rh2 -","2","1","WM4184","Motente, Mokete A.; Venter, Johan; Brink, Alice","(N-Benzoyl-N-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","IUCrData","2023","8","4","x230355","","10.1107/S2414314623003553","","","0.71073","MoKα","","0.0355","0.0299","","","0.0707","0.0739","","","","","","1.067","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569086","5.7044","0.0004","9.9485","0.0007","11.7687","0.0007","90","","90.321","0.002","90","","667.87","0.08","300","2","300.15","","","","","","","","","4","P 1 n 1","P -2yac","7","<i>N</i>-Methylserotonin hydrogen oxalate","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)azanium hydrogen oxalate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","BX4024","Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Methylserotonin hydrogen oxalate","IUCrData","2023","8","5","x230378","","10.1107/S2414314623003784","","","0.71073","MoKα","","0.0303","0.0295","","","0.0764","0.0769","","","","","","1.096","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569104","27.0233","0.0002","9.00367","0.00009","8.96199","0.00008","90","","94.2689","0.0008","90","","2174.48","0.03","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-([(<i>Z</i>)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C20 H23 N3 O4 S2 -","- C20 H23 N3 O4 S2 -","- C80 H92 N12 O16 S8 -","4","1","BT4133","Shripanavar, Chetan Shrimandhar; Balerao, Rishik; Butcher, Ray J.","5-([(Z)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3H)-thione dimethyl sulfoxide monosolvate","IUCrData","2023","8","3","x230237","","10.1107/S2414314623002377","","","1.54184","CuKα","","0.0573","0.0535","","","0.1623","0.1659","","","","","","1.092","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569105","29.8739","0.0008","10.6344","0.0004","7.6425","0.0004","90","","99.93","0.004","90","","2391.58","0.17","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-(thiophen-2-yl)quinoxaline-κ<i>N</i>^4^]silver(I) perchlorate","","- C24 H16 Ag Cl N4 O4 S2 -","- C24 H16 Ag Cl N4 O4 S2 -","- C96 H64 Ag4 Cl4 N16 O16 S8 -","4","0.5","BT4134","Crundwell, Guy","Bis[2-(thiophen-2-yl)quinoxaline-κN 4]silver(I) perchlorate","IUCrData","2023","8","3","x230246","","10.1107/S2414314623002468","","","0.71073","MoKα","","0.0592","0.0301","","","0.0671","0.0718","","","","","","0.821","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569106","18.9246","0.001","8.9789","0.0004","22.2776","0.0013","90","","120.967","0.007","90","","3245.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-(2,3-di(thiophen-2'-yl)-5-methylquinoxaline)silver(I) nitrate","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κ<i>N</i>^1^](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C34 H24 Ag N5 O3 S4 -","- C34 H24 Ag N5 O3 S4 -","- C136 H96 Ag4 N20 O12 S16 -","4","0.5","BT4136","Crundwell, Guy; Ellis, Kristin M.","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κN 1](nitrato-κ2 O,O′)silver(I)","IUCrData","2023","8","3","x230265","","10.1107/S2414314623002651","","x-ray","0.71073","MoKα","","0.0723","0.0412","","","0.0918","0.1068","","","","","","1.037","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569175","9.302","0.0008","10.4068","0.0009","12.0732","0.0011","86.046","0.002","82.838","0.002","88.953","0.002","1156.8","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Bipyridyl)(η^6^-<i>p</i>-cymene)iodidoruthenium(II) hexafluoridophosphate","","- C20 H22 F6 I N2 P Ru -","- C20 H22 F6 I N2 P Ru -","- C40 H44 F12 I2 N4 P2 Ru2 -","2","1","ZL4053","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(2,2′-Bipyridyl)(η6-p-cymene)iodidoruthenium(II) hexafluoridophosphate","IUCrData","2023","8","5","x230392","","10.1107/S2414314623003929","","","0.71073","MoKα","","0.048","0.032","","","","0.0766","","","","","","1.05","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569176","9.7925","0.0003","7.9648","0.0003","11.8039","0.0004","90","","113.553","0.001","90","","843.95","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-<i>b</i>]quinazolin-9(4<i>H</i>)-one","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C36 H40 N16 O4 -","4","1","TK4091","Ettahiri, Walid; Dalbouha, Amal; Baouid, Abdesselam; Alsubari, Abdulsalam; Mague, Joel T.; Taleb, Mustapha; Ramli, Youssef","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one","IUCrData","2023","8","5","x230409","","10.1107/S2414314623004091","","","1.54178","CuKα","","0.0303","0.03","","","0.0799","0.0801","","","","","","1.068","","","","has coordinates","300370","2025-07-05","10:13:02",""
"1569177","25.399","0.002","25.399","0.002","30.418","0.002","90","","90","","120","","16994","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triethylenediamin-1-ium) dodeca-μ~2~-chlorido-hexakis(thiocyanato-κ<i>N</i>)hexa-<i>octahedro</i>-niobate","","- C30 H52 Cl12 N14 Nb6 S6 -","- C30 H52 Cl12 N14 Nb6 S6 -","- C360 H624 Cl144 N168 Nb72 S72 -","12","0.666667","WM4186","Sperlich, Eric; Köckerling, Martin","Tetrakis(triethylenediamin-1-ium) dodeca-μ2-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate","IUCrData","2023","8","5","x230398","","10.1107/S241431462300398X","","","0.71073","MoKα","","0.0504","0.0396","","","0.0842","0.0932","","","","","","1.087","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569178","9.8368","0.0014","10.2783","0.0015","13.2857","0.0018","97.689","0.009","108.305","0.008","108.103","0.008","1171.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-<i>b</i>]indole-3(5<i>H</i>)-thione dichloromethane monosolvate","","","- C25 H19 Cl2 N O2 S3 -","- C25 H19 Cl2 N O2 S3 -","- C50 H38 Cl4 N2 O4 S6 -","2","1","BT4137","Dassonneville, Benjamin; Schollmeyer, Dieter; Detert, Heiner","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-b]indole-3(5H)-thione dichloromethane monosolvate","IUCrData","2023","8","5","x230354","","10.1107/S2414314623003541","","","1.54178","CuKα","","0.0414","0.0379","","","0.1037","0.1065","","","","","","1.017","","","","has coordinates","300370","2025-07-05","10:13:03",""
"1569196","8.8872","0.0019","8.8922","0.0019","11.772","0.003","94.374","0.006","110.139","0.006","93.747","0.006","866.7","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","BH4074","Odedokun, Omobola A.; Ikotun, Adebomi A.; Ajaelu, Chijioke J.; Bhuvanesh, Nattamai","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","IUCrData","2023","8","5","x230418","","10.1107/S2414314623004182","","","0.71073","MoKα","","0.0571","0.0435","","","0.1009","0.1088","","","","","","1.025","","","","has coordinates","300370","2025-07-05","10:13:03",""
"1569231","9.1239","0.0002","22.1397","0.0006","9.5463","0.0003","90","","101.799","0.003","90","","1887.61","0.09","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Picolylammonium perchlorate monohydrate","Pyridin-4-ylmethanaminium perchlorate monohydrate","","- C6 H11 Cl N2 O5 -","- C6 H11 Cl N2 O5 -","- C48 H88 Cl8 N16 O40 -","8","2","WM4189","Seidel, Rüdiger W.; Kolev, Tsonko M.","Pyridin-4-ylmethanaminium perchlorate monohydrate","IUCrData","2023","8","5","x230459","","10.1107/S2414314623004595","","x-ray","0.71073","MoKα","","0.0736","0.0434","","","0.0887","0.1013","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:04",""
"1569259","10.8353","0.0002","13.3587","0.0002","30.3697","0.0004","90","","91.838","0.001","90","","4393.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-(4-Methoxyphenyl)-<i>N</i>'-(2-oxoindolin-3-ylidene)-1-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C25 H19 N5 O3 -","- C25 H19 N5 O3 -","- C200 H152 N40 O24 -","8","2","HB4430","Abdel-Wahab, Bakr F.; Farahat, Abdelbasset A.; Bekheit, Mohamed S.; Yousif, Emad; Kariuki, Benson M.; El-Hiti, Gamal A.","(E)-5-(4-Methoxyphenyl)-N′-(2-oxoindolin-3-ylidene)-1-phenyl-1H-pyrazole-3-carbohydrazide","IUCrData","2023","8","5","x230455","","10.1107/S2414314623004558","","","1.54184","CuKα","","0.0517","0.0415","","","0.112","0.1222","","","","","","1.021","","","","has coordinates,has disorder","300370","2025-07-05","10:13:06",""
"1569377","7.055","0.0004","7.1706","0.0003","9.4182","0.0006","90","","109.295","0.007","90","","449.69","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Barium bis(tetrafluoridoborate) trihydrate","","- B2 Ba F8 H6 O3 -","- B2 Ba F8 H6 O3 -","- B4 Ba2 F16 H12 O6 -","2","1","WM4190","Goreshnik, Evgeny; Vakulka, Andrii; Tavčar, Gašper","Low-temperature modification of Ba(BF4)2(H2O)3","IUCrData","2023","8","6","x230488","","10.1107/S2414314623004881","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.0876","0.0892","","","","","","1.07","","","","has coordinates,has disorder","300370","2025-07-05","10:13:08",""
"1569378","14.9788","0.0002","15.3455","0.0002","16.2948","0.0002","90","","90","","90","","3745.48","0.08","93.25","","93.25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κ<i>O</i>)dicopper(II) tris(nitrate) trihydrate","","- C24 H54 Cu2 N12 O16 -","- C24 H54 Cu2 N12 O16 -","- C96 H216 Cu8 N48 O64 -","4","1","ZL4054","Ichimaru, Yoshimi; Kato, Koichi; Sugiura, Kirara; Ogawa, Sarina; Jin, Wanchun; Kurihara, Masaaki; Yamaguchi, Yoshihiro; Imai, Masanori; Kurosaki, Hiromasa","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κO)dicopper(II) tris(nitrate) trihydrate","IUCrData","2023","8","6","x230462","","10.1107/S2414314623004625","","x-ray","1.54184","CuKα","","0.0535","0.0458","","","0.1219","0.139","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569379","12.3973","0.0004","4.7662","0.00015","31.5382","0.001","90","","99.318","0.003","90","","1838.94","0.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Diheptyl-3,3'-bis[(pyridin-3-yl)ethynyl]-5<i>H</i>,5'<i>H</i>-dipyrrolo[1,2-<i>b</i>:1',2'-<i>g</i>][2,6]naphthyridine-5,5'-dione","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C84 H84 N8 O4 -","2","0.5","HB4432","Xiang, Juan; Gao, Huan; Ma, Zhengyu; Cai, Xiaohua; Zhang, Yu-Peng","6,6′-Diheptyl-3,3′-bis[(pyridin-3-yl)ethynyl]-5H,5′H-dipyrrolo[1,2-b:1′,2′-g][2,6]naphthyridine-5,5′-dione","IUCrData","2023","8","6","x230513","","10.1107/S2414314623005138","","","1.54184","CuKα","","0.1053","0.0899","","","0.2287","0.2545","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569406","5.4826","0.0003","12.4971","0.0007","23.5451","0.0013","90","","90","","90","","1613.23","0.15","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Methionyl L-tyrosine monohydrate","L-Methionyl-L-tyrosine monohydrate","","- C14 H22 N2 O5 S -","- C14 H22 N2 O5 S -","- C56 H88 N8 O20 S4 -","4","1","HB4434","Babu, Sainath; Claville, Michelle O.; Fronczek, Frank R.; Uppu, Rao M.","L-Methionyl-L-tyrosine monohydrate","IUCrData","2023","8","6","x230551","","10.1107/S2414314623005515","","","1.54184","CuKα","","0.0271","0.0252","","","0.0625","0.0635","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569407","7.9303","0.0006","11.2977","0.0009","11.9988","0.0009","82.468","0.004","77.379","0.004","73.419","0.004","1002.71","0.14","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carbonitrile acetic acid monosolvate","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","HB4427","Chakraborty, Bimal Bhushan; Paul, Saurav; Anwar, Siddique; Choudhury, Sudip","2-Amino-4-(4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile acetic acid monosolvate","IUCrData","2023","8","6","x230558","","10.1107/S2414314623005588","","","0.71073","MoKα","","0.0705","0.0503","","","0.1396","0.1571","","","","","","1.061","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569530","9.6678","0.0008","10.9294","0.0011","11.7231","0.0008","90","","93.395","0.007","90","","1236.53","0.18","293.27","0.1","293.27","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-(2-methylanilino)benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","BV4047","Liu, Chenxin; Long, Sihui","4-Methyl-2-(2-methylanilino)benzoic acid","IUCrData","2023","8","7","x230599","","10.1107/S2414314623005990","","x-ray","1.54184","CuKα","","0.0565","0.0447","","","0.1185","0.1306","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569531","8.95081","0.00017","6.5411","0.00015","21.9729","0.0004","90","","91.2391","0.0018","90","","1286.17","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(4-methylphenoxy)benzoic acid","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","HB4431","Lu, Kangkang; Long, Sihui","3-Methyl-2-(4-methylphenoxy)benzoic acid","IUCrData","2023","8","7","x230600","","10.1107/S2414314623006004","","x-ray","1.54184","CuKα","","0.0464","0.0421","","","0.1193","0.1235","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569532","4.91237","0.00015","10.3037","0.0003","12.5876","0.0003","105.89","0.002","96.422","0.002","99.361","0.002","596.36","0.03","268.1","0.5","268.1","0.5","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Chloro-2-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","1","VM4061","Tian, Guimiao; Long, Sihui","N-(3-Chloro-2-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230602","","10.1107/S2414314623006028","","x-ray","1.54184","CuKα","","0.0649","0.0596","","","0.1755","0.1837","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569533","7.373","0.0006","8.0091","0.0006","10.8545","0.0006","97.296","0.006","95.228","0.006","102.149","0.007","616.93","0.08","297.4","0.14","297.4","0.14","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","","- C12 H8 Cl2 N2 O2 -","- C12 H8 Cl2 N2 O2 -","- C24 H16 Cl4 N4 O4 -","2","1","WM4188","Tu, Ni; Long, Sihui","N-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230603","","10.1107/S241431462300603X","","x-ray","1.54184","CuKα","","0.0789","0.0766","","","0.2064","0.2099","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569534","11.3071","0.0012","22.044","0.003","21.557","0.003","90","","104.775","0.007","90","","5195.5","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[1,4-Di(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–\ 1,4-dibromobutane (1/1)","","- C55 H66 Br2 O10 -","- C55 H66 Br2 O10 -","- C220 H264 Br8 O40 -","4","0.5","XU4051","Vinodh, Mickey; Al-Azemi, Talal F.","1-[1,4-Bis(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–1,4-dibromobutane 1:1 inclusion complex","IUCrData","2023","8","7","x230588","","10.1107/S2414314623005886","","","0.71075","MoKα","","0.1376","0.073","","","0.2142","0.2513","","","","","","1.045","","","","has coordinates,has disorder","300370","2025-07-05","10:13:10",""
"1569535","14.0775","0.0003","14.0775","0.0003","24.3492","0.0008","90","","90","","90","","4825.4","0.2","173","0.1","173","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","","- C34 H76 Cl8 Mn N2 -","- C34 H76 Cl8 Mn N2 -","- C136 H304 Cl32 Mn4 N8 -","4","0.25","WM4191","Hay, Michael T.; Yennawar, Hemant P.","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","IUCrData","2023","8","7","x230610","","10.1107/S2414314623006107","","x-ray","1.54184","CuKα","","0.1062","0.0754","","","0.2016","0.2215","","","","","","1.064","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569536","6.68228","0.0001","11.79159","0.00018","13.1717","0.0002","90","","90","","90","","1037.86","0.03","275.8","0.2","275.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Oxo-<i>N</i>-phenyl-1,4-dihydropyridine-3-carboxamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","IM4020","Shu, Xi; Long, Sihui","4-Oxo-N-phenyl-1,4-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230601","","10.1107/S2414314623006016","","x-ray","1.54184","CuKα","","0.0322","0.0303","","","0.0819","0.0827","","","","","","1.06","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569537","10.8865","0.0002","10.31441","0.00018","11.0885","0.0002","90","","113.817","0.003","90","","1139.07","0.04","288.2","0.2","288.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-Chloroanilino)benzoic acid","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","BT4139","Liu, Xiaoting; Long, Sihui","4-(3-Chloroanilino)benzoic acid","IUCrData","2023","8","7","x230598","","10.1107/S2414314623005989","","x-ray","1.54184","CuKα","","0.0496","0.0466","","","0.1388","0.1426","","","","","","1.079","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569590","10.3939","0.0001","17.668","0.0002","17.6653","0.0002","90","","90","","90","","3244.05","0.06","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(5-Cyanononan-5-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","BV4049","Song, Xueqing; Li, William","N-(5-Cyanononan-5-yl)benzamide","IUCrData","2023","8","7","x230639","","10.1107/S2414314623006399","","","1.54184","CuKα","","0.0479","0.0427","","","0.1088","0.1121","","","","","","1.079","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569591","27.036","0.006","6.3093","0.0013","20.653","0.005","90","","105.536","0.006","90","","3394.2","1.3","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ-aqua)[μ~4~-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]","","- C34 H38 Co2 N4 O11 -","- C34 H38 Co2 N4 O11 -","- C136 H152 Co8 N16 O44 -","4","0.5","BT4140","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[(μ-aqua)[μ4-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]","IUCrData","2023","8","7","x230648","","10.1107/S241431462300648X","","","0.71073","MoKα","","0.0581","0.0414","","","0.1007","0.1133","","","","","","1.061","","","","has coordinates","300370","2025-07-05","10:13:12",""
"1569592","27.558","0.01","14.873","0.005","9.146","0.003","90","","98.396","0.004","90","","3708","2","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~4~-3-(2-carboxylatophenyl)propionato]{<i>N</i>-[2-(pyridine-3-amido)ethyl]nicotinamide}dicopper(II)] pentahydrate]","","- C34 H40 Cu2 N4 O15 -","- C34 H40 Cu2 N4 O15 -","- C136 H160 Cu8 N16 O60 -","4","0.5","ZL4055","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[bis[μ4-3-(2-carboxylatophenyl)propionato]{N-[2-(pyridine-3-amido)ethyl]nicotinamide}dicopper(II)] pentahydrate]","IUCrData","2023","8","7","x230622","","10.1107/S2414314623006223","","","0.71073","MoKα","","0.1349","0.0792","","","0.1946","0.2297","","","","","","1.016","","","","has coordinates,has disorder","300370","2025-07-05","10:13:12",""
"1569661","9.6536","0.0009","9.0435","0.0009","21.599","0.002","90","","94.473","0.002","90","","1879.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[5-(2,3-Dimethoxynaphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-3-methoxyphenol","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","HB4442","Sung, Jiha","2-[5-(2,3-Dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-methoxyphenol","IUCrData","2023","8","8","x230668","","10.1107/S2414314623006685","","","0.71073","MoKα","","0.1143","0.0586","","","0.1491","0.1841","","","","","","0.922","","","","has coordinates","300370","2025-07-05","10:13:12",""
"1569662","16.2645","0.0016","7.8297","0.0007","22.819","0.002","90","","90","","90","","2905.9","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Methoxyphenyl)-9<i>H</i>-carbazole","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","HB4441","Ganesan, Prabhu; Jasmine, Nithianantham Jeeva; Darious, Robert Swinton; Soundararajan, Krishnan; Rajalingam, Renganathan","9-(4-Methoxyphenyl)-9H-carbazole","IUCrData","2023","8","8","x230674","","10.1107/S2414314623006740","","","0.71073","MoKα","","0.1039","0.0458","","","0.102","0.1355","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:13:13",""
"1569663","9.1138","0.0008","9.4045","0.0008","14.4758","0.0013","97.3","0.001","94.045","0.001","114.149","0.001","1112.63","0.17","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ~3~-3-(2-carboxylatophenyl)propionato][μ~2~-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate]","","- C24 H24 Cu N4 O7 -","- C24 H24 Cu N4 O7 -","- C48 H48 Cu2 N8 O14 -","2","1","BH4076","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ3-3-(2-carboxylatophenyl)propionato][μ2-N,N′-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate], a layered coordination polymer with (4,4) topology","IUCrData","2023","8","8","x230679","","10.1107/S241431462300679X","","","0.71073","MoKα","","0.0522","0.0386","","","0.0849","0.0924","","","","","","1.05","","","","has coordinates,has disorder","300370","2025-07-05","10:13:13",""
"1569734","10.683","0.002","11.347","0.002","13.203","0.003","90","","107.491","0.003","90","","1526.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diethyl 2,2'-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","","- C28 H34 Cl N3 O9 S -","- C28 H34 Cl N3 O9 S -","- C56 H68 Cl2 N6 O18 S2 -","2","1","TK4094","Ramli, Youssef; Al Garadi, Wedad; El Hafi, Mohamed; Lhoussaine, Elghayati; Essassi, El Mokhtar; Alsubari, Abdulsalam; Mague, Joel T.","Diethyl 2,2′-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","IUCrData","2023","8","8","x230699","","10.1107/S2414314623006995","","","0.71073","MoKα","","0.0744","0.056","","","0.1439","0.1539","","","","","","1.061","","","","has coordinates,has disorder","300370","2025-07-05","10:13:14",""
"1569756","8.7211","0.0002","10.4194","0.0002","10.5243","0.0007","106.426","0.007","109.09","0.008","90.373","0.006","861.67","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","μ-1,6-Dioxo-1,6-diphenylhexane-3,4-diolato-bis[(2,2'-bipyridine)chloridocopper(II)] dihydrate","","- C38 H32 Cl2 Cu2 N4 O6 -","- C38 H32 Cl2 Cu2 N4 O6 -","- C38 H32 Cl2 Cu2 N4 O6 -","1","0.5","TK4095","Nye, Luke; Telfer, Shane G.; Turnbull, Mark M.","μ-1,6-Dioxo-1,6-diphenylhexane-3,4-diolato-bis[(2,2′-bipyridine)chloridocopper(II)] dihydrate","IUCrData","2023","8","8","x230713","","10.1107/S2414314623007137","","","1.54178","CuKα","","0.0615","0.0474","","","0.112","0.121","","","","","","1.129","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569757","8.5431","0.0008","9.7391","0.0009","9.9667","0.0009","104.523","0.001","93.049","0.001","99.966","0.001","786.57","0.13","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine]bis[μ~3~-4-(2-carboxylatoethyl)benzoato]dicopper(II)]","","- C34 H32 Cu2 N4 O8 -","- C34 H32 Cu2 N4 O8 -","- C34 H32 Cu2 N4 O8 -","1","0.5","","Jia, Jason; LaDuca, Robert L.","Poly[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine]bis[μ3-4-(2-carboxylatoethyl)benzoato]dicopper(II)]","IUCrData","2023","8","8","x230745","","10.1107/S2414314623007459","","","0.71073","MoKα","","0.0535","0.0442","","","0.1075","0.1138","","","","","","1.12","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569775","13.7083","0.0005","8.65","0.0003","14.1183","0.0005","90","","99.724","0.001","90","","1650.05","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Bromoethyl)-5,5-diphenylimidazolidine-2,4-dione","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C68 H60 Br4 N8 O8 -","4","1","TK4088","Guerrab, Walid; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-(2-Bromo-eth-yl)-5,5-di-phenyl-imidazolidine-2,4-dione.","IUCrData","2023","8","Pt 1","x230060","","10.1107/S2414314623000603","","","0.71073","MoKα","","0.0715","0.0516","","","0.1555","0.1703","","","","","","1.056","","","","has coordinates","286006","2023-09-05","01:59:31",""
"1569776","5.9685","0.0004","8.9642","0.0006","12.4927","0.0009","94.804","0.006","102.448","0.005","99.356","0.005","639.09","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4,5-Dibromo-3,3,6,6-tetramethyl-2,3,6,7-tetrahydrothiepine-1,1-dione","","- C10 H16 Br2 O2 S -","- C10 H16 Br2 O2 S -","- C20 H32 Br4 O4 S2 -","2","1","BT4132","Schollmeyer, Dieter; Detert, Heiner","(<i>Z</i>)-4,5-Di-bromo-3,3,6,6-tetra-methyl-2,3,6,7-tetra-hydro-thiepine-1,1-dione.","IUCrData","2023","8","Pt 1","x230042","","10.1107/S2414314623000421","","","0.71073","MoKα","","0.0443","0.0362","","","0.0826","0.089","","","","","","1.14","","","","has coordinates","286007","2023-09-05","02:00:17",""
"1569777","8.1119","0.0003","9.5566","0.0003","22.2332","0.0008","90.553","0.003","91.592","0.003","106.047","0.003","1655.5","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis[5-(3,5-didodecyloxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dimethylpyrazine","","- C70 H112 N6 O6 -","- C70 H112 N6 O6 -","- C70 H112 N6 O6 -","1","0.5","BT4131","Joa, Benedikt; Schollmeyer, Dieter; Detert, Heiner","2,5-Bis[5-(3,5-dido-decyl-oxyphen-yl)-1,3,4-oxa-diazol-2-yl]-3,6-di-methyl-pyrazine.","IUCrData","2023","8","Pt 1","x230034","","10.1107/S2414314623000342","","","1.54178","CuKα","","0.0936","0.0504","","","0.1256","0.1432","","","","","","0.942","","","","has coordinates","286008","2023-09-05","02:00:38",""
"1569778","15.9302","0.0008","15.9302","0.0008","6.9779","0.0004","90","","90","","90","","1770.79","0.16","295","2","295","2","","","","","","","","4","I -4","I -4","82","","3-Chloro-<i>N</i>,<i>N</i>-dimethylpropan-1-aminium chloride","","- C5 H13 Cl2 N -","- C5 H13 Cl2 N -","- C40 H104 Cl16 N8 -","8","1","HB4422","Bond, Marcus R.; Silwal, Sajan","3-Chloro-<i>N</i>,<i>N</i>-di-methyl-propan-1-aminium chloride.","IUCrData","2023","8","Pt 1","x230015","","10.1107/S2414314623000159","","","0.71073","MoKα","","0.0505","0.0387","","","0.0799","0.0847","","","","","","1.092","","","","has coordinates","286009","2023-09-05","02:00:58",""
"1569779","9.3758","0.0007","4.7862","0.0003","32.764","0.002","90","","96.34","0.003","90","","1461.27","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole-7-carboxylate","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C64 H64 N16 O12 -","4","1","BT4130","Richter, Adrian; Goddard, Richard; Schönefeld, Roy; Imming, Peter; Seidel, Rüdiger W","Methyl 1-[(6-meth-oxy-5-methyl-pyrimidin-4-yl)meth-yl]-1<i>H</i>-benzo[<i>d</i>]imidazole-7-carboxyl-ate: a combined X-ray and DFT study.","IUCrData","2023","8","Pt 1","x230025","","10.1107/S2414314623000251","","","0.71073","Mo-Kα","","0.0478","0.0387","","","0.0582","0.0607","","","","","","1.074","","","","has coordinates,has disorder","286010","2023-09-05","02:01:54",""
"1569780","11.0632","0.0003","16.9135","0.0005","13.4178","0.0003","90","","110.442","0.001","90","","2352.6","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-hydroxido-bis[di-<i>tert</i>-butylchloridotin(IV)]","","- C16 H38 Cl2 O2 Sn2 -","- C16 H38 Cl2 O2 Sn2 -","- C64 H152 Cl8 O8 Sn8 -","4","1","TK4087","Reuter, Hans","Redetermination of the crystal structure of di-μ<sub>2</sub>-hydroxido-bis-[di-<i>tert</i>-butyl-chlorido-tin(IV)] at 100 K.","IUCrData","2023","8","Pt 1","x230056","","10.1107/S2414314623000561","","","0.71073","MoKα","","0.0173","0.014","","","0.0329","0.0344","","","","","","1.064","","","","has coordinates","286011","2023-09-05","02:02:33",""
"1569781","13.071","0.003","10.458","0.003","13.358","0.003","90","","90.576","0.019","90","","1825.9","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Brasixanthone B","5,8-Dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-<i>b</i>]xanthen-6-one","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","1","PK4037","Binti Seruji, Nurr Maria Ulfa; Rosli, Mohd Mustaqim; Jong, Vivien Yi Mian; Karunakaran, Thiruventhan; Lizazman, Mas Atikah; Marlina, Anita; Binti Halid, Yanti Yana","5,8-Dihy-droxy-2,2-dimethyl-12-(3-methyl-but-2-en-yl)pyrano[3,2-<i>b</i>]xanthen-6-one (brasixanthone B).","IUCrData","2023","8","Pt 1","x221198","","10.1107/S2414314622011981","","","0.71073","MoKα","","0.1102","0.0628","","","0.1543","0.1975","","","","","","1.076","","","","has coordinates","286012","2023-09-05","02:03:01",""
"1569782","10.0982","0.0012","8.2447","0.0011","19.365","0.003","90","","98.592","0.012","90","","1594.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)imino]-1,2-diphenylethanone","","- C20 H15 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","HB4414","Ziani, Nouara; Ouarda, Brihi; Kadri, Soumia; Jeanneau, Erwann; Warad, Ismail; Djedouani, Amel","2-[(4-Chloro-phen-yl)imino]-1,2-di-phenyl-ethanone.","IUCrData","2023","8","Pt 1","x230065","","10.1107/S2414314623000652","","","0.71073","MoKα","","0.0931","0.0622","","","0.1492","0.1864","","","","","","1.114","","","","has coordinates","286013","2023-09-05","02:03:48",""
"1569783","4.92171","0.00014","4.92171","0.00014","4.92171","0.00014","90","","90","","90","","119.22","0.006","100","0.1","100","0.1","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver(I) fluoride","","- Ag F -","- Ag F -","- Ag4 F4 -","4","0.0208333","WM4179","Lozinšek, Matic; Belak Vivod, Matic; Dragomir, Mirela","Crystal structure reinvestigation of silver(I) fluoride, AgF.","IUCrData","2023","8","Pt 1","x230018","","10.1107/S2414314623000184","","x-ray","0.56087","AgKα","","0.0108","0.0108","","","0.0203","0.0203","","","","","","1.28","","","","has coordinates","286014","2023-09-05","02:04:32",""
"1569784","5.8027","0.0002","7.5404","0.0003","10.1345","0.0004","70.483","0.002","84.15","0.002","84.208","0.003","414.72","0.03","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","alloxazine","1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C20 H12 N8 O4 -","2","1","HB4421","Uppu, Rao M.; Fronczek, Frank R.","1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione.","IUCrData","2023","8","Pt 1","x221223","","10.1107/S2414314622012238","","","1.54184","CuKα","","0.0698","0.0484","","","0.1319","0.1438","","","","","","1.066","","","","has coordinates","286015","2023-09-05","02:04:55",""
"1569785","10.551","0.003","12.444","0.004","13.804","0.005","95.258","0.01","101.022","0.009","94.954","0.01","1761.5","1","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane 0.8-solvate","","- C32.8 H39.6 B Cl1.6 F4 Ir N3 P -","- C32.8 H39.6 B Cl1.6 F4 Ir N3 P -","- C65.6 H79.2 B2 Cl3.2 F8 Ir2 N6 P2 -","2","1","WM4181","Smith, Troy E.; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cyclo-octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl-idene)(tri-phenyl-phos-phane)iridium(I) tetra-fluorido-borate di-chloro-methane 0.8-solvate.","IUCrData","2023","8","Pt 1","x230064","","10.1107/S2414314623000640","","","0.71073","MoKα","","0.0358","0.0283","","","0.06","0.0625","","","","","","1.041","","","","has coordinates","286016","2023-09-05","02:05:30",""
"1569786","5.44197","0.00004","13.09134","0.00008","14.36102","0.00009","90","","90","","90","","1023.12","0.012","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aquatrifluoridoboron–1,3-dioxolan-2-one (1/2)","","- C6 H10 B F3 O7 -","- C6 H10 B F3 O7 -","- C24 H40 B4 F12 O28 -","4","1","WM4182","Radan, Kristian; Forero-Saboya, Juan; Ponrouch, Alexandre; Lozinšek, Matic","Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).","IUCrData","2023","8","Pt 1","x230062","","10.1107/S2414314623000627","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.05","0.0503","","","","","","1.038","","","","has coordinates","286017","2023-09-05","02:06:06",""
"1569787","5.967","0.004","4.092","0.003","20.358","0.014","90","","93.08","0.018","90","","496.4","0.6","263","2","263","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-(Allyloxy)benzohydrazide","4-(Prop-2-en-1-yloxy)benzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Zangrando, Ennio","4-(All-yloxy)benzohydrazide.","IUCrData","2023","8","Pt 1","x221195","","10.1107/S2414314622011956","","","0.71075","MoKα","","0.0924","0.0807","","","0.2188","0.2276","","","","","","1.046","","","","has coordinates","286018","2023-09-05","02:06:29",""
"1569788","8.23147","0.00011","7.16385","0.00009","9.24494","0.00014","90","","97.8459","0.0013","90","","540.062","0.013","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralone","","- C12 H11 F3 O2 -","- C12 H11 F3 O2 -","- C24 H22 F6 O4 -","2","1","WM4178","Motaln, Klemen; Cotman, Andrej Emanuel; Lozinšek, Matic","(<i>S</i>)-2-[(<i>S</i>)-2,2,2-Tri-fluoro-1-hy-droxy-eth-yl]-1-tetra-lone.","IUCrData","2023","8","Pt 1","x221209","","10.1107/S2414314622012093","","x-ray","1.54184","CuKα","","0.0218","0.0215","","","0.0557","0.0559","","","","","","1.061","","","","has coordinates","286019","2023-09-05","02:06:55",""
"1569848","15.587","0.002","6.7579","0.001","20.942","0.003","90","","111.614","0.002","90","","2050.8","0.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ~4~-succinato)dicopper(II)]","","- C19 H18 Cu2 N4 O9 -","- C19 H18 Cu2 N4 O9 -","- C76 H72 Cu8 N16 O36 -","4","1","BH4078","Ezenyilimba, Frederick; LaDuca, Robert L.","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-succinato)dicopper(II)], a ribbon-like coordination polymer","IUCrData","2023","8","9","x230747","","10.1107/S2414314623007472","","","0.71073","MoKα","","0.1015","0.0561","","","0.1232","0.1509","","","","","","0.985","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569849","8.7642","0.0008","10.8653","0.0009","12.6564","0.0011","65.094","0.003","75.354","0.003","76.718","0.003","1047.12","0.16","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(4-acetoxy-<i>N</i>-ethyl-<i>N</i>-<i>n</i>-propyltryptammonium) fumarate–fumaric acid (1/1)","Bis{[2-(4-acetyloxy-1<i>H</i>-indol-3-yl)ethyl](ethyl)propylazanium} but-2-enedioate–(<i>E</i>)-butenedioic acid (1/1)","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C42 H56 N4 O12 -","2","1","HB4447","Pham, Duyen N. K.; Sackett, Nathan B.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(4-acetoxy-N-ethyl-N-n-propyltryptammonium) fumarate–fumaric acid (1/1)","IUCrData","2023","8","9","x230779","","10.1107/S2414314623007794","","","0.71073","MoKα","","0.0751","0.0561","","","0.1258","0.137","","","","","","1.026","","","","has coordinates,has disorder","300370","2025-07-05","10:13:15",""
"1569850","13.632","0.004","13.632","0.004","17.507","0.006","90","","90","","90","","3253.4","1.8","153","2","153","","","","","","","","","4","I 41","I 4bw","80","","<i>N</i>,<i>N</i>'-[1,4-Phenylenebis(iminocarbonyl)]bis(<i>L</i>-phenylalanine) tetrahydrofuran disolvate","","- C34 H42 N4 O8 -","- C34 H42 N4 O8 -","- C136 H168 N16 O32 -","4","0.5","BH4077","Stapf, Manuel; Schwarzer, Anke","N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate","IUCrData","2023","8","9","x230743","","10.1107/S2414314623007435","","","0.71073","MoKα","","0.0446","0.0395","","","0.1014","0.1067","","","","","","1.053","","","","has coordinates,has disorder","300370","2025-07-05","10:13:15",""
"1569851","8.5016","0.0011","10.1996","0.0016","13.4724","0.0016","104.368","0.001","91.416","0.001","99.03","0.001","1115.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(3^1^<i>E</i>,3^2^<i>Z</i>,7^1^<i>E</i>,7^2^<i>Z</i>)-4,8-Bis(3,5-dichlorophenyl)-1^4^,3^3^,5^3^,7^3^-tetrapropyl-1^1^<i>H</i>,3^2^<i>H</i>,5^1^<i>H</i>,7^2^<i>H</i>-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane","","- C50 H44 Cl4 N4 S2 -","- C50 H44 Cl4 N4 S2 -","- C50 H44 Cl4 N4 S2 -","1","0.5","XU4052","Ishimaru, Yoshihiro; Ikeda, Ryo; Fujihara, Takashi","(31 E,32 Z,71 E,72 Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11 H,32 H,51 H,72 H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane","IUCrData","2023","8","9","x230766","","10.1107/S2414314623007666","","","0.71073","MoKα","","0.0454","0.034","","","0.0842","0.0895","","","","","","1.219","","","","has coordinates","300370","2025-07-05","10:13:15",""
"1569852","10.718","0.004","10.933","0.003","11.586","0.003","113.462","0.004","109.626","0.004","96.053","0.004","1127.2","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~3~-adamantane-1,3-dicarboxylato)aqua[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate]","","- C23 H27 N3 Ni O7 -","- C23 H27 N3 Ni O7 -","- C46 H54 N6 Ni2 O14 -","2","1","","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-dicarboxylato)aqua[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with (4,4) topology","IUCrData","2023","8","9","x230758","","10.1107/S2414314623007587","","","0.71073","MoKα","","0.0535","0.0417","","","0.1066","0.1148","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:13:15",""
"1569853","7.9413","0.0013","10.4614","0.0016","11.3198","0.0018","70.6534","0.0018","87.8784","0.0019","73.9621","0.0018","851.2","0.2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dinicotinamide]","","- C34 H32 Cu N4 O12 -","- C34 H32 Cu N4 O12 -","- C34 H32 Cu N4 O12 -","1","0.5","","Pumford, Sean R.; LaDuca, Robert L.","catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide]","IUCrData","2023","8","9","x230764","","10.1107/S2414314623007642","","","0.71073","MoKα","","0.04","0.0355","","","0.0897","0.0932","","","","","","1.058","","","","has coordinates,has disorder","300370","2025-07-05","10:13:16",""
"1569854","10.68706","0.00009","19.53919","0.00016","19.31983","0.00017","90","","91.7888","0.0007","90","","4032.33","0.06","100.01","0.12","100.01","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(dimethoxyethane)magnesium pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)hydroxidooxidodialuminate","Bis(dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ^3^<i>O</i>,3κ^2^<i>O</i>-μ-hydroxido-1:3κ^2^<i>O</i>-μ~3~-oxido-1:2:3κ^3^<i>O</i>-magnesiumdialuminium","","- C23 H26 Al2 F30 Mg O11 -","- C23 H26 Al2 F30 Mg O11 -","- C92 H104 Al8 F120 Mg4 O44 -","4","1","HB4443","Lozinšek, Matic; Pavčnik, Tjaša; Bitenc, Jan","Bis(dimethoxyethane-1κ2 O,O′)pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ3 O,3κ2 O-μ-hydroxido-1:3κ2 O-μ3-oxido-1:2:3κ3 O-magnesiumdialuminium","IUCrData","2023","8","9","x230716","","10.1107/S2414314623007162","","x-ray","0.56087","AgKα","","0.046","0.0326","","","0.0843","0.0911","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569865","6.5733","0.0002","8.0601","0.0002","15.828","0.0004","95.442","0.002","99.527","0.002","90.36","0.002","823.09","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","Benzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","(<i>Z</i>)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate","","- C17 H15 N3 O S2 -","- C17 H15 N3 O S2 -","- C34 H30 N6 O2 S4 -","2","1","HB4449","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.; Mohammat, Mohd Fazli; Mohd Aluwi, Mohd Fadhlizil Fasihi; Jumali, Nor Saliyana","(Z)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate","IUCrData","2023","8","9","x230782","","10.1107/S2414314623007824","","x-ray","1.54184","CuKα","","0.0369","0.0344","","","0.095","0.0968","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569866","5.7234","0.0001","11.2961","0.0001","12.6591","0.0002","90","","98.82","0.001","90","","808.76","0.02","299.7","0.1","299.7","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Pyrrolidin-1-yl)ethan-1-iminium chloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","1","HB4444","Artis, Rylan; Padgett, Clifford W.; Quillian, Brandon","1-(Pyrrolidin-1-yl)ethan-1-iminium chloride","IUCrData","2023","8","9","x230790","","10.1107/S2414314623007903","","x-ray","1.54184","CuKα","","0.036","0.0329","","","0.0977","0.1002","","","","","","1.089","","","","has coordinates,has disorder","300370","2025-07-05","10:13:16",""
"1569867","7.2107","0.0008","10.2179","0.0013","20.863","0.003","90","","90.562","0.004","90","","1537.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,4-Dichlorobenzylidene)[2-(1<i>H</i>-indol-3-yl)ethyl]amine","","- C17 H14 Cl2 N2 -","- C17 H14 Cl2 N2 -","- C68 H56 Cl8 N8 -","4","1","HB4446","Murugan, Suganya; Paul, Anaglit Catherine; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar","(2,4-Dichlorobenzylidene)[2-(1H-indol-3-yl)ethyl]amine","IUCrData","2023","8","9","x230780","","10.1107/S2414314623007800","","","0.71073","MoKα","","0.1223","0.0482","","","0.1054","0.1344","","","","","","1.007","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569883","8.1283","0.0002","21.3822","0.0007","8.6376","0.0002","90","","101.713","0.003","90","","1469.96","0.07","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","","- C7 H14 Br N3 -","- C7 H14 Br N3 -","- C42 H84 Br6 N18 -","6","1.5","HB4448","Maynard, Aaron; Keller, Taylor M.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","IUCrData","2023","8","9","x230784","","10.1107/S2414314623007848","","x-ray","0.71073","MoKα","","0.0314","0.0224","","","0.0494","0.0516","","","","","","1.038","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1569931","17.282","0.003","16.324","0.003","12.698","0.004","90","","131.754","0.002","90","","2672.4","1.1","173.15","","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","","- C26 H32 N4 Ni O6 -","- C26 H32 N4 Ni O6 -","- C104 H128 N16 Ni4 O24 -","4","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","IUCrData","2023","8","9","x230788","","10.1107/S2414314623007885","","","0.71073","MoKα","","0.0711","0.0571","","","0.1352","0.1489","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569932","3.73339","0.00004","6.97307","0.00005","12.87327","0.00009","90","","97.1579","0.0008","90","","332.52","0.005","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitrobenzonitrile","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C14 H8 N4 O4 -","2","1","HB4451","Virant, Miha; Siljanovska, Ana; Cerkovnik, Janez; Lozinšek, Matic","3-Nitrobenzonitrile","IUCrData","2023","8","9","x230814","","10.1107/S2414314623008143","","x-ray","1.54184","CuKα","","0.0242","0.0241","","","0.0689","0.069","","","","","","1.089","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569933","9.7753","0.0007","11.2349","0.0008","12.6422","0.0009","90.946","0.001","111.5","0.001","94.586","0.001","1286.11","0.16","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ^2^<i>N</i>:<i>N</i>'][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ^2^<i>O</i>:<i>O</i>^2^]zinc(II)] 2.5 hydrate]","","- C26 H27 N4 O8.5 Zn -","- C26 H27 N4 O8.5 Zn -","- C52 H54 N8 O17 Zn2 -","2","1","","Glatz, Erika J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ2 N:N′][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ2 O:O 2]zinc(II)] 2.5 hydrate]: a tri-periodic coordination polymer with a dimer-based six-connected pcu topology","IUCrData","2023","8","9","x230811","","10.1107/S2414314623008118","","","0.71073","MoKα","","0.0498","0.0417","","","0.103","0.1094","","","","","","1.046","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1569934","20.833","0.004","9.6413","0.0015","15.654","0.003","90","","136.283","0.01","90","","2173","0.8","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(tetrahydrofuran-κ<i>O</i>)chromium(II)](<i>Cr</i>—<i>Cr</i>)","","- C16 H28 Cr2 O10 -","- C16 H28 Cr2 O10 -","- C64 H112 Cr8 O40 -","4","0.5","WM4196","Heiser, Christian; Merzweiler, Kurt","Tetrakis(μ-acetato-κ2 O:O′)bis[(tetrahydrofuran-κO)chromium(II)]","IUCrData","2023","8","9","x230801","","10.1107/S2414314623008015","","x-ray","0.71073","MoKα","","0.0315","0.0284","","","0.0825","0.0844","","","","","","1.056","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569935","8.4267","0.0019","14.084","0.003","10.9","0.002","90","","91.953","0.008","90","","1292.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate","4-Amino-3,5-dichloropyridinium 3-hydroxypyridine-2-carboxylate monohydrate","","- C11 H11 Cl2 N3 O4 -","- C11 H11 Cl2 N3 O4 -","- C44 H44 Cl8 N12 O16 -","4","1","HB4452","Ashokan, Agalya; Nehru, Jayasudha; Chakkarapani, Nandhini; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar","4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate","IUCrData","2023","8","9","x230821","","10.1107/S2414314623008210","","","0.71073","MoKα","","0.0403","0.0334","","","0.0864","0.0905","","","","","","1.03","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1570007","8.5042","0.0011","13.3095","0.0017","20.921","0.003","90","","101.348","0.001","90","","2321.7","0.5","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ~4~-glutarato)dicopper(II)]","","- C21 H22 Cu2 N4 O9 -","- C21 H22 Cu2 N4 O9 -","- C84 H88 Cu8 N16 O36 -","4","1","","Ezenyilimba, Frederick C.; LaDuca, Robert L.","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-glutarato)dicopper(II)]","IUCrData","2023","8","9","x230833","","10.1107/S2414314623008337","","","0.71073","MoKα","","0.0619","0.0424","","","0.0964","0.1094","","","","","","1.032","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1570038","18.402","0.002","33.377","0.004","17.963","0.002","90","","90","","90","","11033","2","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate]","","- C26 H30 Cu N4 O5 -","- C26 H28 Cu N4 O5 -","- C416 H448 Cu16 N64 O80 -","16","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate], a coordination polymer with twofold interpenetrated cds topology networks","IUCrData","2023","8","10","x230855","","10.1107/S2414314623008556","","","0.71073","MoKα","","0.1247","0.1025","","","0.2709","0.3024","","","","","","1.164","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1570053","21.789","0.003","9.5494","0.0012","22.2","0.003","90","","90","","90","","4619.2","1.1","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate],","","- C25 H29 N3 Ni O6 -","- C25 H29 N3 Ni O6 -","- C200 H232 N24 Ni8 O48 -","8","1","BH4079","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology","IUCrData","2023","8","10","x230869","","10.1107/S2414314623008696","","","0.71073","MoKα","","0.0709","0.0479","","","0.1195","0.1338","","","","","","1.053","","","","has coordinates","300370","2025-07-05","10:13:18",""
"1570100","15.1769","0.0004","5.8576","0.0002","25.2717","0.0007","90","","90","","90","","2246.66","0.12","108","3","108","3","","","","","","","","2","P b c a","-P 2ac 2ab","61","1-Methyl-3-(2-naphthyl)cyclopentadiene","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","","- C16 H14 -","- C16 H14 -","- C128 H112 -","8","1","ZL4062","Michailidis, Melina; Bonitatibus Jr, Peter J.","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","IUCrData","2023","8","10","x230856","","10.1107/S2414314623008568","","x-ray","1.54184","CuKα","","0.0612","0.0536","","","0.1357","0.1411","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:13:18",""
"1570106","2.9405","0.0015","2.9405","0.0015","2.9405","0.0015","90","","90","","90","","25.43","0.02","299","2","299","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Aluminium copper iron","","- Al0.88 Cu0.94 Fe0.18 -","- Al0.88 Cu0.92 Fe0.2 -","- Al0.88 Cu0.92 Fe0.2 -","1","0.0208333","HB4450","Liu, Yibo; Liu, Huizi; Wen, Bin; Fan, Changzeng","Al0.88Cu0.94Fe0.18","IUCrData","2023","8","10","x230870","","10.1107/S2414314623008702","","","0.71073","MoKα","","0.0133","0.0133","","","0.0306","0.0306","","","","","","1.442","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570155","10.8268","0.0002","12.5379","0.0002","14.0896","0.0002","87.421","0.001","86.988","0.001","77.089","0.002","1860.58","0.05","100","","99.96","0.14","","","","","","","","8","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate","","- C34.5 H43 B Cl3 F4 Ir N3 P -","- C34.5 H43 B Cl3 F4 Ir N3 P -","- C69 H86 B2 Cl6 F8 Ir2 N6 P2 -","2","1","HB4453","Maynard, Aaron; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate","IUCrData","2023","8","10","x230903","","10.1107/S2414314623009033","","","0.71073","MoKα","","0.0275","0.0244","","","0.0585","0.0593","","","","","","1.047","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570156","10.0602","0.0013","6.7704","0.0009","14.524","0.002","90","","110.168","0.002","90","","928.6","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-<i>N</i>-(4-fluorophenyl)acetamide","","- C20 H17 Cl F N3 O2 -","- C20 H17 Cl F N3 O2 -","- C40 H34 Cl2 F2 N6 O4 -","2","1","HB4454","Assila, Hamza; Ameziane El Hassani, Issam; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef; Ansar, MHammed","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-N-(4-fluorophenyl)acetamide","IUCrData","2023","8","10","x230901","","10.1107/S241431462300901X","","","0.71073","MoKα","","0.061","0.0483","","","0.121","0.1308","","","","","","1.03","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570157","11.7058","0.0008","7.2365","0.0005","7.6864","0.0005","90","","96.374","0.002","90","","647.08","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(<i>O</i>-ethylhydroxylaminium) [di-μ-chlorido-dichloridocadmate(II)]]","","- C4 H16 Cd Cl4 N2 O2 -","- C4 H16 Cd Cl4 N2 O2 -","- C8 H32 Cd2 Cl8 N4 O4 -","2","0.5","WM4199","Tong, Yu-Qiao; Lei, Zi-Qiong; Huang, Bo","Poly[bis(O-ethylhydroxylaminium) [di-μ-chlorido-dichloridocadmate(II)]]","IUCrData","2023","8","10","x230898","","10.1107/S2414314623008982","","","0.71073","MoKα","","0.0238","0.0231","","","0.0539","0.0543","","","","","","1.072","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570191","12.2614","0.0001","10.8318","0.0001","14.6297","0.0001","90","","108.523","0.001","90","","1842.36","0.03","99.98","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate","","- C30 H48 Cl4 F6 N2 Sn -","- C30 H48 Cl4 F6 N2 Sn -","- C60 H96 Cl8 F12 N4 Sn2 -","2","0.5","TK4096","Song, Xueqing; Li, William","Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate","IUCrData","2023","8","10","x230913","","10.1107/S2414314623009136","","","1.54184","CuKα","","0.0285","0.0273","","","0.0735","0.0749","","","","","","1.084","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570232","10.125","0.005","11.222","0.005","15.995","0.007","79.117","0.008","83.484","0.009","72.829","0.008","1701.9","1.4","298","2","298","","","","","","","","","5","P -1","-P 1","2","6,7-Diphenyl-5λ^6^-thia-7-azaspiro[2.6]nonane-5,5,8-trione","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","2","HB4455","Yennawar, Hemant P.; Russell, Michael W.; Silverberg, Lee J.","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide","IUCrData","2023","8","10","x230937","","10.1107/S2414314623009379","","","0.71073","MoKα","","0.1567","0.0785","","","0.1678","0.2067","","","","","","0.913","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570306","13.6565","0.0003","5.8286","0.0002","20.6721","0.0006","90","","92.751","0.002","90","","1643.57","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-<i>N</i>-phenylhydrazinecarbothioamide","","- C18 H23 N3 S -","- C18 H23 N3 S -","- C72 H92 N12 S4 -","4","1","BT4142","Oliveira, Adriano Bof; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","2-{3-Methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-N-phenylhydrazinecarbothioamide","IUCrData","2023","8","11","x230971","","10.1107/S2414314623009719","","x-ray","0.71073","MoKα","","0.0642","0.0393","","","0.0836","0.0945","","","","","","1.064","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570307","10.261","0.005","11.243","0.005","20.198","0.009","84.857","0.015","87.185","0.016","72.525","0.015","2213","1.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis[bis(diphenylphosphanyl)methane-κ^2^<i>P</i>,<i>P</i>']dichloridoruthenium(II)","","- C50 H44 Cl2 P4 Ru -","- C50 H44 Cl2 P4 Ru -","- C100 H88 Cl4 P8 Ru2 -","2","1","WM4201","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","trans-Bis[bis(diphenylphosphanyl)methane-κ2 P,P′]dichloridoruthenium(II): a triclinic polymorph","IUCrData","2023","8","11","x230984","","10.1107/S2414314623009847","","","0.71073","MoKα","","0.0477","0.0337","","","0.0752","0.0829","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570308","9.8996","0.0007","10.0299","0.0007","17.9841","0.0013","73.81","0.003","86.774","0.004","83.592","0.003","1703.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","1-(1-Hydroxycyclohexyl)cyclohexan-1-ol","[1,1'-Bicyclohexane]-1,1'-diol","","- C12 H22 O2 -","- C12 H22 O2 -","- C72 H132 O12 -","6","3","BT4141","Mtendeni, Zukisani; Hosten, Eric Cyriel; Betz, Richard","[1,1′-Bicyclohexane]-1,1′-diol","IUCrData","2023","8","11","x230969","","10.1107/S2414314623009690","","","0.71073","MoKα","","0.0658","0.0421","","","0.0986","0.1101","","","","","","1.023","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570362","9.3312","0.0019","19.124","0.004","9.977","0.002","90","","95.453","0.007","90","","1772.3","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one","","- C21 H15 N3 O S -","- C21 H15 N3 O S -","- C84 H60 N12 O4 S4 -","4","1","HB4458","Koh, Dongsoo","(E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one","IUCrData","2023","8","11","x230997","","10.1107/S2414314623009975","","","0.71073","MoKα","","0.0948","0.0458","","","0.0999","0.1269","","","","","","1.022","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570369","5.04322","0.00003","18.11509","0.00013","14.46487","0.0001","90","","90.46","0.0006","90","","1321.44","0.015","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 1-(4-fluorobenzyl)-1<i>H</i>-indazole-3-carboxylate","","- C16 H13 F N2 O2 -","- C16 H13 F N2 O2 -","- C64 H52 F4 N8 O8 -","4","1","ZL4059","Doi, Takahiro; Sakai, Takayuki","Methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate","IUCrData","2023","8","11","x230995","","10.1107/S2414314623009951","","x-ray","1.54184","CuKα","","0.0315","0.0309","","","0.0772","0.0778","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570478","5.867","0.003","11.79","0.004","27.983","0.009","90","","94.907","0.014","90","","1928.5","1.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fixolide 4-methylthiosemicarbazone","2-{1-[(6<i>R</i>,<i>S</i>)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-<i>N</i>-methylhydrazinecarboamide","","- C20 H31 N3 S -","- C20 H31 N3 S -","- C80 H124 N12 S4 -","4","1","BT4144","Melo, Ana Paula Lopes de; Flores, Alex Fabiani Claro; Bresolin, Leandro; Tirloni, Bárbara; Oliveira, Adriano Bof de","2-{1-[(6R,S)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamide","IUCrData","2023","8","11","x231020","","10.1107/S2414314623010209","","x-ray","0.71073","MoKα","","0.1261","0.0785","","","0.1771","0.2012","","","","","","1.06","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""
"1570479","15.0159","0.0007","8.0595","0.0003","10.8243","0.0005","90","","94.372","0.003","90","","1306.15","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-jasmone thiosemicarbazone","2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C12 H19 N3 S -","- C12 H19 N3 S -","- C48 H76 N12 S4 -","4","1","","Oliveira, Adriano Bof de; Bresolin, Leandro; Gervini, Vanessa Carratu; Beck, Johannes; Daniels, Jörg","A second crystalline modification of 2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2023","8","11","x231018","","10.1107/S2414314623010180","","x-ray","0.71073","MoKα","","0.0798","0.054","","","0.1297","0.1427","","","","","","1.086","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""
"1570560","2.9057","0.0005","2.9057","0.0005","2.9057","0.0005","90","","90","","90","","24.533","0.007","300","2","300","2","","","","","","","","2","P m -3 m","-P 4 2 3","221","Ferroaluminium","Aluminium iron","","- Al Fe0.95 -","- Al Fe0.9499 -","- Al Fe0.9499 -","1","0.0208333","","Liu, Yibo; Liu, Huizi; Fan, Changzeng; Bin, Wen; Zhang, Lifeng","Crystal structure of AlFe0.95","IUCrData","2023","8","12","x231065","","10.1107/S2414314623010659","","","0.71073","MoKα","","0.0097","0.0097","","","0.0262","0.0262","","","","","","1.435","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570561","15.4103","0.0003","10.1338","0.0002","13.4284","0.0002","90","","108.692","0.002","90","","1986.44","0.07","291.15","","291.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tetraaqua(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate dihydrate","","- C12 H26 N2 Ni O12 S2 -","- C12 H26 N2 Ni O12 S2 -","- C48 H104 N8 Ni4 O48 S8 -","4","0.5","WM4202","Suyunov, Jabbor R.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Ibragimov, Aziz B.; Mengnorov, Islombek J.; Rasulov, Abdusamat A.; Ashurov, Jamshid M.","Tetraaqua(ethane-1,2-diamine-κ2 N,N′)nickel(II) naphthalene-1,5-disulfonate dihydrate","IUCrData","2023","8","12","x231032","","10.1107/S2414314623010325","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0847","0.0851","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570593","13.4628","0.0002","17.2828","0.0003","21.7586","0.0004","84.624","0.002","84.857","0.003","85.114","0.004","5005.05","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","<i>meso</i>-α,α-5,15-Bis(<i>o</i>-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate","<i>meso</i>-α,α-5,15-Bis(2-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate","","- C62 H52 N8 O2 -","- C62 H52 N8 O2 -","- C248 H208 N32 O8 -","4","2","BH4080","Sun, Xiaotao; Li, Jianfeng","meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate","IUCrData","2023","8","12","x231085","","10.1107/S2414314623010854","","","0.71073","MoKα","","0.1108","0.0721","","","0.1795","0.2231","","","","","","1.07","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""
"1570704","13.6947","0.0012","23.467","0.002","5.2287","0.0006","90","","90","","90","","1680.4","0.3","100","0.5","100","0.5","","","","","","","","4","P 21 21 2","P 2 2ab","18","","5,6-Dimethylbenzo[<i>d</i>][1,3]oxatellurole","","- C9 H10 O Te -","- C9 H10 O Te -","- C72 H80 O8 Te8 -","8","2","HB4459","Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas","5,6-Dimethylbenzo[d][1,3]oxatellurole","IUCrData","2024","9","1","x231076","","10.1107/S2414314623010763","","","0.56086","AgKα","","0.0424","0.033","","","0.0585","0.0609","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570705","10.9589","0.0004","9.328","0.0004","12.7255","0.0006","90","","90","","90","","1300.86","0.1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","<i>rac</i>-Hydroxyisovaleric acid","<i>rac</i>-2-Hydroxy-3-methylbutanoic acid","","- C5 H10 O3 -","- C5 H10 O3 -","- C40 H80 O24 -","8","1","BT4145","Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard","rac-Hydroxyisovaleric acid","IUCrData","2024","9","1","x231093","","10.1107/S2414314623010933","","","0.71073","MoKα","","0.0425","0.0354","","","0.1011","0.1069","","","","","","1.049","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570750","7.9583","0.0002","11.2703","0.0002","16.008","0.0005","83.0428","0.0018","86.9392","0.0013","76.5236","0.0018","1385.51","0.06","223","","223","","","","","","","","","4","P -1","-P 1","2","cis-Jasmone 4-methylthiosemicarbazone","<i>N</i>-Methyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C13 H21 N3 S -","- C13 H21 N3 S -","- C52 H84 N12 S4 -","4","2","","Oliveira, Adriano Bof de; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2024","9","1","x240013","","10.1107/S2414314624000130","","x-ray","0.71073","MoKα","","0.1129","0.0522","","","0.1144","0.1399","","","","","","1.031","","","","has coordinates,has disorder","300370","2025-07-05","10:13:21",""
"1570778","14.7877","0.0006","9.9287","0.0004","9.523","0.0003","90","","95.233","0.004","90","","1392.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C14 H12 Cl2 N2 O2 Zn -","- C14 H12 Cl2 N2 O2 Zn -","- C56 H48 Cl8 N8 O8 Zn4 -","4","0.5","WM4203","Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A.","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)","IUCrData","2024","9","1","x240037","","10.1107/S2414314624000373","","x-ray","1.54184","CuKα","","0.031","0.0284","","","0.0768","0.0783","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570779","6.5385","0.0002","16.7263","0.0008","19.0096","0.0011","90","","90","","90","","2078.98","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Dichloridobis[(<i>S</i>)-(–)-1-(4-methylphenyl)ethylamine-κ<i>N</i>]palladium(II)","","- C18 H26 Cl2 N2 Pd -","- C18 H26 Cl2 N2 Pd -","- C72 H104 Cl8 N8 Pd4 -","4","1","WM4204","Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin","trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II)","IUCrData","2024","9","1","x240036","","10.1107/S2414314624000361","","","0.71073","MoKα","","0.0798","0.0492","","","0.0851","0.0954","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570809","7.0419","0.0001","19.2513","0.0003","12.7175","0.0002","90","","100.513","0.002","90","","1695.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis(4-amino-3-nitrobenzoato-κ<i>O</i>)bis(4-amino-3-nitrobenzoic acid-κ<i>O</i>)diaquamanganese(II) dihydrate","","- C28 H30 Mn N8 O20 -","- C28 H30 Mn N8 O20 -","- C56 H60 Mn2 N16 O40 -","2","0.5","BV4050","Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M.","Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate","IUCrData","2024","9","1","x240040","","10.1107/S2414314624000403","","","1.54184","CuKα","","0.0386","0.0348","","","0.0946","0.0972","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570810","12.4019","0.0014","14.8205","0.0019","14.9762","0.0018","105.936","0.004","113.662","0.003","94.486","0.004","2368.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>':κ<i>S</i>)bis[(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)] dimethylformamide disolvate","","- C52 H52 Fe N3 O S4 -","- C52 H52 Fe N3 O S4 -","- C104 H104 Fe2 N6 O2 S8 -","2","1","IM4022","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′:κS)bis[(cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′)iron(III)] dimethylformamide disolvate","IUCrData","2023","9","1","x231083","","10.1107/S2414314623010830","","","0.71073","MoKα","","0.0431","0.0328","","","0.0803","0.0901","","","","","","1.0731","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570811","11.3235","0.0008","11.3235","0.0008","11.3235","0.0008","90","","90","","90","","1451.92","0.18","296","2","296","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium dinickel carbide","","- C Ni2 Ti4 -","- C Ni2 Ti4 -","- C16 Ni32 Ti64 -","16","0.0833333","WM4205","Liu, Huizi; Liang, Xinyu; Liu, Yibo; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Crystal structure of Ti4Ni2C","IUCrData","2024","9","1","x240043","","10.1107/S2414314624000439","","","0.71073","MoKα","","0.0259","0.0237","","","0.0508","0.051","","","","","","1.216","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570858","12.1089","0.0003","13.3568","0.0003","14.0513","0.0004","90","","98.955","0.003","90","","2244.9","0.1","100","0.13","100","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","","- C44 H36 F6 N10 Ni O7 S2 -","- C44 H36 F6 N10 Ni O7 S2 -","- C88 H72 F12 N20 Ni2 O14 S4 -","2","1","VM4063","Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","IUCrData","2024","9","1","x240088","","10.1107/S2414314624000889","","x-ray","1.54184","CuKα","","0.0597","0.0575","","","0.1351","0.1364","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1570967","9.7878","0.0001","26.2103","0.0003","12.6443","0.0001","90","","97.202","0.001","90","","3218.19","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κN)ruthenium(II) bistriflate","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κ<i>N</i>)ruthenium(II) bis(trifluoromethanesulfonate)","","- C28 H24 F6 N6 O8 Ru S2 -","- C28 H24 F6 N6 O8 Ru S2 -","- C112 H96 F24 N24 O32 Ru4 S8 -","4","1","BT4147","Faubert, Liam; Arman, Hadi D.; Adrian, Rafael A.","Aquabis(2,2′-bipyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","x240114","","10.1107/S2414314624001147","","x-ray","1.54184","CuKα","","0.0729","0.0712","","","0.1574","0.1585","","","","","","1.056","","","","has coordinates,has disorder","300370","2025-07-05","10:13:22",""
"1570968","14.434","0.0003","13.9644","0.0002","14.2126","0.0002","90","","102.536","0.0016","90","","2796.43","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4,4'-dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) bis(trifluoromethanesulfonate)","","- C24 H20 F6 N4 O8 Pd S2 -","- C24 H20 F6 N4 O8 Pd S2 -","- C96 H80 F24 N16 O32 Pd4 S8 -","4","1","WM4206","Vargas, Brittney B.; Arman, Hadi D.; Adrian, Rafael A.","(2,2′-Bipyridine-κ2 N,N′)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","x240109","","10.1107/S2414314624001093","","x-ray","1.54184","CuKα","","0.0413","0.0376","","","0.0966","0.0999","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1570997","27.8745","0.0009","83.475","0.003","7.5368","0.0002","90","","90","","90","","17536.8","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Ethyl-3,3-dimethylspiro[indoline-2,8'-phenaleno[1,9-<i>fg</i>]chromene]","","- C30 H25 N O -","- C30 H25 N O -","- C960 H800 N32 O32 -","32","2","HB4461","Zhu., Xiaoming; Jiang, Zhen; Liu, Zhiqiang","1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene]","IUCrData","2024","9","2","x240137","","10.1107/S2414314624001378","","","1.54178","CuKα","","0.0382","0.0319","","","0.0836","0.0875","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571038","8.3549","0.0007","9.3366","0.0008","12.3971","0.0007","69.409","0.007","75.524","0.006","65.217","0.008","815.89","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ^3^<i>N</i>:<i>N</i>',<i>N</i>'']bis[diacetato-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)]","","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","1","0.5","ZL4065","Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]","IUCrData","2024","9","2","x240122","","10.1107/S2414314624001226","","x-ray","0.71073","MoKα","","0.0552","0.039","","","0.0896","0.0979","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571068","13.7387","0.0012","20.547","0.002","8.4283","0.0009","90","","90","","90","","2379.2","0.4","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","2","HB4463","Moodley, Cresten; Muller, Alfred; Belay, Yonas H.","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","IUCrData","2024","9","2","x240163","","10.1107/S2414314624001639","","","0.71073","MoKα","","0.1043","0.0518","","","0.0919","0.1106","","","","","","0.998","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571166","9.955","0.0003","10.006","0.0003","11.332","0.0004","89.415","0.0014","78.013","0.0014","78.901","0.0014","1082.99","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","4-Fluoro-2-(phenylamino)benzoic acid","","- C13 H10 F N O2 -","- C13 H10 F N O2 -","- C52 H40 F4 N4 O8 -","4","2","HB4457","Li, Jingxi; Long, Sihui","4-Fluoro-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","x240197","","10.1107/S2414314624001974","","","0.71073","MoKα","","0.1177","0.0503","","","0.1068","0.1314","","","","","","0.944","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571167","5.3048","0.0003","5.3048","0.0003","11.4999","0.0009","90","","90","","90","","323.62","0.04","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Neodymium(III) <i>ortho</i>-oxidotungstate(VI)","","- Nd0.67 O4 W -","- Nd0.6667 O4 W -","- Nd2.6668 O16 W4 -","4","0.25","WM4207","Knies, Benjamin; Hartenbach, Ingo","Crystal structure of defect scheelite-type Nd2/3[WO4]","IUCrData","2024","9","3","x240175","","10.1107/S2414314624001755","","","0.71073","MoKα","","0.0331","0.0224","","","0.0476","0.0499","","","","","","1.008","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571168","9.1051","0.0013","10.665","0.002","16.688","0.003","90","","102.16","0.02","90","","1584.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>erythro</i>-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","","- C16 H17 Br O2 S -","- C16 H17 Br O2 S -","- C64 H68 Br4 O8 S4 -","4","1","WM4209","Corfield, Peter W. R.","erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","IUCrData","2024","9","3","x240189","","10.1107/S2414314624001895","","","1.5405","CuKα","","0.0505","0.0375","","","0.0948","0.1025","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571169","11.5962","0.0004","18.4606","0.0005","7.8973","0.0002","90","","106.532","0.007","90","","1620.71","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-octyl 3-(2-methylpropylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]nickel(II)","","- C26 H50 N4 Ni S4 -","- C26 H50 N4 Ni S4 -","- C52 H100 N8 Ni2 S8 -","2","0.5","WM4208","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Bis[S-octyl 3-(2-methylpropylidene)dithiocarbazato-κ2 N 3,S]nickel(II)","IUCrData","2024","9","3","x240186","","10.1107/S241431462400186X","","","0.71075","MoKα","","0.0549","0.0359","","","0.0672","0.0723","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571170","15.2054","0.0003","3.8818","0.0001","19.8109","0.0004","90","","107.039","0.001","90","","1118","0.04","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-2-(phenylamino)benzoic acid","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C52 H40 Br4 N4 O8 -","4","1","HB4456","Kang, Liping; Long, Sihui","5-Bromo-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","x240198","","10.1107/S2414314624001986","","","0.71073","MoKα","","0.0472","0.0378","","","0.1163","0.1304","","","","","","1.207","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571171","8.3125","0.0001","18.9072","0.0004","15.7906","0.0003","90","","90.617","0.002","90","","2481.6","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>cis</i>,<i>cis</i>-Dichloridobis(<i>N</i>^4^,<i>N</i>^4^-dimethylpyridin-4-amine-κ<i>N</i>^1^)bis(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","- C18 H32 Cl2 N4 O2 Ru S2 -","- C18 H32 Cl2 N4 O2 Ru S2 -","- C72 H128 Cl8 N16 O8 Ru4 S8 -","4","1","BH4082","Park, Esther H.; Ortiz, Sarah M.; Liang, Todd K.; Smucker, Bradley W.","cis,cis,cis-Dichloridobis(N 4,N 4-dimethylpyridin-4-amine-κN 1)bis(dimethyl sulfoxide-κS)ruthenium(II)","IUCrData","2024","9","3","x240191","","10.1107/S2414314624001913","","","0.71073","MoKα","","0.0623","0.0484","","","0.135","0.1481","","","","","","1.085","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571244","8.489","0.0012","16.4","0.002","27.936","0.003","90","","90","","90","","3889.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine","","- C26 H18 Br N -","- C26 H18 Br N -","- C208 H144 Br8 N8 -","8","1","HB4462","Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria","10-Bromo-N,N-diphenylanthracen-9-amine","IUCrData","2024","9","3","x240207","","10.1107/S2414314624002074","","","0.71073","MoKα","","0.0993","0.0525","","","0.0886","0.1094","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571265","6.7236","0.0005","7.2935","0.0005","16.1649","0.0011","77.57","0.006","80.354","0.005","89.412","0.006","762.9","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>-[1-(2-Oxidophenyl)ethylidene]-<i>DL</i>-alaninato}(pentane-1,5-diyl)silicon(IV)","","- C16 H21 N O3 Si -","- C16 H21 N O3 Si -","- C32 H42 N2 O6 Si2 -","2","1","TK4102","Böhme, Uwe; Fels, Sabine","{N-[1-(2-Oxidophenyl)ethylidene]-DL-alaninato}(pentane-1,5-diyl)silicon(IV)","IUCrData","2024","9","3","x240228","","10.1107/S2414314624002281","","","0.71073","MoKα","","0.0563","0.0418","","","0.0982","0.1066","","","","","","1.098","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571266","10.3048","0.0002","24.114","0.0006","12.6416","0.0004","90","","100.911","0.003","90","","3084.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ^2^<i>N</i>:<i>N</i>)(2,3-diethyl-7,8-dimethylquinoxaline-κ<i>N</i>)-μ-nitrato-κ^2^<i>O</i>:<i>O</i>'-nitrato-κ^2^<i>O</i>,<i>O</i>'-disilver(I)]","","- C28 H36 Ag2 N6 O6 -","- C28 H36 Ag2 N6 O6 -","- C112 H144 Ag8 N24 O24 -","4","1","ZL4069","Crundwell, Guy; Leeds, Ashley","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ2 N:N)(2,3-diethyl-7,8-dimethylquinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]","IUCrData","2024","9","3","x240247","","10.1107/S2414314624002475","","x-ray","0.71073","MoKα","","0.0793","0.0387","","","0.0798","0.0956","","","","","","1.003","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571267","6.2497","0.0002","13.8633","0.0006","14.6254","0.0005","90","","90","","90","","1267.17","0.08","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl <i>N</i>-{(1<i>R</i>)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","HB4464","Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain","Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","IUCrData","2024","9","3","x240222","","10.1107/S2414314624002220","","x-ray","0.71073","MoKα","","0.0667","0.0464","","","0.1072","0.1183","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571268","7.6288","0.0003","8.753","0.0004","9.3794","0.0004","90.707","0.004","106.138","0.004","114.285","0.005","542.62","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dibromidotetrakis(5-methyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)\ manganese(II)","","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","1","0.5","ZL4064","Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan","trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)","IUCrData","2024","9","3","x240237","","10.1107/S2414314624002372","","","0.71073","MoKα","","0.0462","0.0318","","","0.061","0.064","","","","","","1.037","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571269","6.7949","0.0002","6.9491","0.0002","16.708","0.0008","89.525","0.003","82.547","0.003","82.347","0.003","775.26","0.05","125","","125","","","","","","","","","6","P -1","-P 1","2","","4-Fluorobenzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","","- C16 H12 F N3 O S2 -","- C16 H12 F N3 O S2 -","- C32 H24 F2 N6 O2 S4 -","2","1","HB4466","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","IUCrData","2024","9","3","x240235","","10.1107/S2414314624002359","","x-ray","1.54184","CuKα","","0.131","0.1056","","","0.2397","0.268","","","","","","1.003","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571270","7.5425","0.0003","17.6838","0.0009","18.892","0.0011","90","","90","","90","","2519.8","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","","- C29 H31 Fe2 N O S2 -","- C29 H31 Fe2 N O S2 -","- C116 H124 Fe8 N4 O4 S8 -","4","1","TK4101","Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","IUCrData","2024","9","3","x240234","","10.1107/S2414314624002347","","","0.71073","MoKα","","0.0631","0.0555","","","0.1274","0.1386","","","","","","1.056","","","","has coordinates,has disorder","300370","2025-07-05","10:13:24",""
"1571312","26.718","0.004","9.8834","0.0013","20.648","0.003","90","","90","","90","","5452.4","1.3","125","2","125","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","","- C50 H56 F12 N10 O3 P2 Ru -","- C50 H56 F12 N10 O3 P2 Ru -","- C200 H224 F48 N40 O12 P8 Ru4 -","4","1","BT4148","Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.","Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","IUCrData","2024","9","3","x240269","","10.1107/S2414314624002694","","","0.71073","MoKα","","0.1046","0.092","","","0.1934","0.1987","","","","","","1.184","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571470","22.0407","0.0006","12.4642","0.0003","18.0706","0.0005","90","","107.495","0.001","90","","4734.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ethidium benzoate methanol monosolvate","8-Amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate","","- C29 H29 N3 O3 -","- C29 H29 N3 O3 -","- C232 H232 N24 O24 -","8","1","TK4103","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium benzoate methanol monosolvate","IUCrData","2024","9","4","x240302","","10.1107/S241431462400302X","","","0.71069","MoKα","","0.0688","0.0532","","","0.139","0.1504","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:13:29",""
"1571493","10.056","0.0006","21.3696","0.0009","12.5648","0.0006","90","","100.161","0.002","90","","2657.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>mer</i>-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","","- C26.33 H28.65 N8 Ni O S2 -","- C26.328 H28.656 N8 Ni O S2 -","- C105.312 H114.624 N32 Ni4 O4 S8 -","4","1","BH4083","Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti","mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","IUCrData","2024","9","4","x240339","","10.1107/S2414314624003390","","","0.71073","MoKα","","0.0385","0.0355","","","0.0808","0.0825","","","","","","1.081","","","","has coordinates,has disorder","300370","2025-07-05","10:13:31",""
"1571494","7.08","0.0003","10.6304","0.0003","11.065","0.0003","89.715","0.002","79.711","0.003","89.598","0.002","819.37","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-EtPyBdanI","1-Ethyl-4-(1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2(3<i>H</i>)-yl)pyridin-1-ium iodide","","- C17 H17 B I N3 -","- C17 H17 B I N3 -","- C34 H34 B2 I2 N6 -","2","1","BX4026","Hashimoto, Shu; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide","IUCrData","2024","9","4","x240362","","10.1107/S2414314624003626","","x-ray","0.71073","MoKα","","0.0226","0.02","","","0.0513","0.0521","","","","","","1.074","","","","has coordinates","300370","2025-07-05","10:13:32",""
"1571495","25.8993","0.0007","6.6206","0.0002","13.4938","0.0003","90","","96.425","0.002","90","","2299.23","0.11","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","(<i>S</i>~C~,<i>R</i>~S~)-Bromido(<i>N</i>-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-<i>N'</i>-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","","- C21 H25 Br2 N3 Pd S -","- C21 H25 Br2 N3 Pd S -","- C84 H100 Br8 N12 Pd4 S4 -","4","1","ZL4070","Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru","(S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","IUCrData","2024","9","4","x240360","","10.1107/S2414314624003602","","x-ray","1.54184","CuKα","","0.0336","0.0299","","","0.0698","0.0723","","","","","","1.036","","","","has coordinates","300370","2025-07-05","10:13:32",""
"1571496","8.8428","0.0005","9.2779","0.0006","9.9343","0.0004","79.126","0.004","82.732","0.004","67.279","0.006","736.99","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Poly[3-methylpyridinium [(μ~2~-dihydrogen phosphito)bis(μ~3~-hydrogen phosphito)dizinc]]","","- C6 H12 N O9 P3 Zn2 -","- C6 H12 N O9 P3 Zn2 -","- C12 H24 N2 O18 P6 Zn4 -","2","1","TK4104","Love-Jennings, Jago G.; McKay, Aidan P.; Cordes, David B.; Harrison, William T. A.","Poly[3-methylpyridinium [(μ2-dihydrogen phosphito)bis(μ3-hydrogen phosphito)dizinc]]","IUCrData","2024","9","4","x240345","","10.1107/S2414314624003456","","","0.71073","MoKα","","0.0735","0.0501","","","0.1254","0.1342","","","","","","1.018","","","","has coordinates","300370","2025-07-05","10:13:33",""
"1571497","25.6112","0.0006","9.7565","0.0002","10.3664","0.0002","90","","95.169","0.002","90","","2579.78","0.09","100.01","0.1","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Germacrone","(3<i>E</i>,7<i>E</i>)-3,7-Dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one","","- C15 H22 O -","- C15 H22 O -","- C120 H176 O8 -","8","1","WM4211","Meurer, Florian; Bodensteiner, Michael; Kolev, Iliyan","Redetermination of germacrone type II based on single-crystal X-ray data","IUCrData","2024","9","4","x240346","","10.1107/S2414314624003468","","","1.54184","CuKα","","0.0344","0.0289","","","0.0733","0.0768","","","","","","1.0708","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571498","15.862","0.001","6.0503","0.0004","19.064","0.0012","90","","105.287","0.003","90","","1764.8","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","BX4027","Minagawa, Tomohiro; Sadakiyo, Masaaki","(2E,2′E)-1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","IUCrData","2024","9","4","x240358","","10.1107/S2414314624003584","","","0.71069","MoKα","","0.0909","0.0632","","","0.1308","0.154","","","","","","1.076","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571499","6.7497","0.0009","52.478","0.007","18.832","0.003","90","","90","","90","","6670.5","1.6","130","2","130","2","","","","","","","","5","F d d 2","F 2 -2d","43","23007z","13-Nitrobenzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenoxazine","","- C22 H11 N3 O3 S -","- C22 H11 N3 O3 S -","- C352 H176 N48 O48 S16 -","16","1","NX4001","Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad","13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine","IUCrData","2024","9","4","x240299","","10.1107/S2414314624002992","","","0.71073","MoKα","","0.0366","0.0327","","","0.0841","0.087","","","","","","1.029","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571500","6.746","0.002","23.041","0.007","10.939","0.003","90","","97.616","0.005","90","","1685.3","0.9","93","2","93.35","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-2,3-Dihydronaphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","","- C17 H19 B I N3 O -","- C17 H19 B I N3 O -","- C68 H76 B4 I4 N12 O4 -","4","1","HB4467","Hashimoto, Shu; Miki, Shintaro; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","IUCrData","2024","9","4","x240369","","10.1107/S2414314624003699","","","0.71075","MoKα","","0.0318","0.0264","","","0.0529","0.0555","","","","","","1.044","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571501","8.3455","0.0003","19.2331","0.0006","11.0134","0.0003","90","","102.491","0.003","90","","1725.92","0.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-<i>b</i>]pyrazine]silver(I) perchlorate methanol disolvate","","- C32 H26 Ag Cl N6 O6 S4 -","- C32 H26 Ag Cl N6 O6 S4 -","- C64 H52 Ag2 Cl2 N12 O12 S8 -","2","1","ZL4071","Crundwell, Guy; Christiana, Rachel A.; Ouellette, Paul; Giorgetti, Andrew F.","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate","IUCrData","2024","9","4","x240344","","10.1107/S2414314624003444","","x-ray","0.71073","MoKα","","0.0739","0.0408","","","0.0821","0.0951","","","","","","1.014","","","","has coordinates,has disorder","300370","2025-07-05","10:13:35",""
"1571515","11.7365","0.0005","3.8149","0.0002","35.726","0.0015","90","","97.669","0.002","90","","1585.27","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","24047z","Benzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenothiazine","","- C22 H12 N2 S2 -","- C22 H12 N2 S2 -","- C88 H48 N8 S8 -","4","1","OI4001","Bader, Mamoun M.; Pham, Phuong-Truc T.; Abu Khodair, Salma S.; Saleh, Maysoon I.","Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine","IUCrData","2024","9","4","x240357","","10.1107/S2414314624003572","","","0.71073","MoKα","","0.0564","0.0466","","","0.1111","0.1163","","","","","","1.059","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571673","4.6536","0.0003","8.2542","0.0003","13.682","0.0006","78.092","0.004","82.801","0.004","85.469","0.004","509.42","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis(secnidazole-κ<i>N</i>^3^)copper(II)","","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","1","0.5","BX4028","Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain","trans-Dichloridobis(secnidazole-κN 3)copper(II)","IUCrData","2024","9","5","x240376","","10.1107/S2414314624003766","","x-ray","0.71073","MoKα","","0.0604","0.0413","","","0.0963","0.1075","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571674","4.3286","0.0008","21.334","0.004","9.2941","0.0016","90","","93.744","0.004","90","","856.4","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-hydroxy-4-iodobenzoate","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","1","HB4468","Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.","Methyl 2-hydroxy-4-iodobenzoate","IUCrData","2024","9","5","x240394","","10.1107/S2414314624003948","","","0.71073","MoKα","","0.0349","0.0299","","","0.0559","0.0574","","","","","","1.111","","","","has coordinates","300370","2025-07-05","10:13:36",""
"1571679","9.8065","0.0002","12.5029","0.0003","16.1592","0.0003","90","","95.599","0.002","90","","1971.82","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)zinc(II) perchlorate","","- C14 H26 Cl F N6 O6 Zn -","- C14 H26 Cl F N6 O6 Zn -","- C56 H104 Cl4 F4 N24 O24 Zn4 -","4","1","BT4149","Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate","IUCrData","2024","9","5","x240431","","10.1107/S2414314624004310","","x-ray","1.54184","CuKα","","0.0645","0.0635","","","0.1773","0.1785","","","","","","1.106","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571706","7.2605","0.0009","10.4221","0.0014","14.668","0.002","90","","94.366","0.012","90","","1106.7","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ^5^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')copper(II)","","- C8 H18 Cl Cu N O5 -","- C8 H18 Cl Cu N O5 -","- C32 H72 Cl4 Cu4 N4 O20 -","4","1","WM4213","Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Bernès, Sylvain","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ5 N,O,O′,O′′,O′′′)copper(II)","IUCrData","2024","9","5","x240439","","10.1107/S2414314624004395","","","0.71073","MoKα","","0.0655","0.0475","","","0.1144","0.1299","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571764","10.6769","0.0003","17.9611","0.0005","7.0266","0.0002","90","","90","","90","","1347.48","0.07","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Oxo-2<i>H</i>-chromen-4-yl 3,3-dimethylbutanoate","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","HB4474","Bationo, Valentin; Ziki, Eric; Sombié, Charles Bavouma; Semdé, Rasmané; Djandé, Abdoulaye","2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate","IUCrData","2024","9","5","x240494","","10.1107/S2414314624004942","","","1.54184","CuKα","","0.032","0.0305","","","0.0823","0.0841","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571765","13.0619","0.0017","7.6891","0.001","20.475","0.003","90","","106.809","0.014","90","","1968.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(10-Bromoanthracen-9-yl)-<i>N</i>-phenylaniline","","- C26 H18 Br N -","- C26 H18 Br N -","- C104 H72 Br4 N4 -","4","1","HB4471","Saravanan, Dhandayutham; Ponraj, C.; Khamrang, Themmila; Hemamalini, Madhukar; Antony, G. Jerald Maria","2-(10-Bromoanthracen-9-yl)-N-phenylaniline","IUCrData","2024","9","5","x240475","","10.1107/S2414314624004759","","","0.71073","MoKα","","0.0677","0.0494","","","0.118","0.1293","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571766","5.2598","0.0008","5.2598","0.0008","15.778","0.003","90","","90","","120","","378.03","0.11","300","2","300","2","","","","","","","","4","R -3 :H","-R 3","148","","Trisodium iron(III) ditellurium(VI) nonaoxide","","- Fe0.6666 Na2 O6 Te1.3333 -","- Fe0.6666 Na2 O6 Te1.3334 -","- Fe1.9998 Na6 O18 Te4.0002 -","3","0.166667","","Eder, Felix; Weil, Matthias","Ilmenite-type Na2(Fe2/3Te4/3)O6","IUCrData","2024","9","5","x240482","","10.1107/S2414314624004826","","","0.71073","MoKα","","0.0326","0.0266","","","0.0642","0.0658","","","","","","1.031","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571767","4.8838","0.0002","18.3867","0.0007","5.1522","0.0002","90","","110.325","0.0016","90","","433.85","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-2-Carboxyethyl <i>L</i>-cysteinyl sulfone","(2<i>S</i>)-2-Azaniumyl-3-[(2-carboxyethane)sulfonyl]propanoate","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C12 H22 N2 O12 S2 -","2","1","PK4044","Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","(S)-2-Carboxyethyl L-cysteinyl sulfone","IUCrData","2024","9","5","x240480","","10.1107/S2414314624004802","","","0.71073","MoKα","","0.019","0.0189","","","0.0508","0.0508","","","","","","1.102","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571768","14.21628","0.00018","20.7477","0.0002","18.221","0.0002","90","","110.078","0.0015","90","","5047.74","0.11","130","0.2","130","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octakis(dibutylammonium) decamolybdate(VI)","","- C64 H160 Mo10 N8 O34 -","- C64 H160 Mo10 N8 O34 -","- C128 H320 Mo20 N16 O68 -","2","0.5","WM4210","Gueye, Papa Aly; Yaffa, Lamine; Seye, Dame; Ndoye, Daouda; Traoré, Bocar; Sidibé, Mamadou; Diop, Cheikh Abdoul Khadir; Shova, Sergiu","Octakis(dibutylammonium) decamolybdate(VI)","IUCrData","2024","9","5","x240463","","10.1107/S2414314624004632","","x-ray","1.54184","CuKα","","0.0507","0.0452","","","0.1153","0.1194","","","","","","1.024","","","","has coordinates,has disorder","300370","2025-07-05","10:13:40",""
"1571769","13.7","0.0006","13.7","0.0006","8.7123","0.0005","90","","90","","90","","1635.21","0.14","170","2","170","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Tetrakis(2,4,6-trimethylanilido)tin(IV)","","- C36 H48 N4 Sn -","- C36 H48 N4 Sn -","- C72 H96 N8 Sn2 -","2","0.25","WM4214","Lämmer, Christian; Merzweiler, Kurt","Tetrakis(2,4,6-trimethylanilido)tin(IV)","IUCrData","2024","9","5","x240479","","10.1107/S2414314624004796","","","0.71073","MoKα","","0.0242","0.0224","","","0.0558","0.057","","","","","","1.069","","","","has coordinates","300370","2025-07-05","10:13:42",""
"1571777","11.2451","0.0014","14.4734","0.0017","15.232","0.002","90","","103.485","0.004","90","","2410.7","0.5","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[{μ~2~-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^}(μ~2-~4,4'-dipyridylamine-κ^2^<i>N</i>^4^:<i>N</i>^4'^)cobalt(II)] dimethylformamide hemisolvate monohydrate]","","- C22.5 H23.5 Co N4.5 O6.5 S -","- C22.5 H23.5 Co N4.5 O6.5 S -","- C90 H94 Co4 N18 O26 S4 -","4","1","WM4212","Qin, Hui-Yu; Zhang, Bing-Guang; Sun, Qiao-Zhen","Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate]","IUCrData","2024","9","6","x240489","","10.1107/S2414314624004899","","","0.71073","MoKα","","0.0898","0.0531","","","0.129","0.1495","","","","","","1.036","","","","has coordinates,has disorder","300370","2025-07-05","10:13:50",""
"1571778","30.247","0.004","13.713","0.002","17.205","0.002","90","","90","","90","","7136.2","1.6","101.15","","101.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","(2,5-Dimethylimidazole){<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","","- C85 H62 Cl2 Mn N14 O4 -","- C85 H62 Cl2 Mn N14 O4 -","- C340 H248 Cl8 Mn4 N56 O16 -","4","1","HB4469","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","IUCrData","2024","9","6","x240497","","10.1107/S2414314624004978","","","0.71073","MoKα","","0.1065","0.0804","","","0.2106","0.2401","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:51",""
"1571779","23.1771","0.0019","12.7959","0.001","22.5404","0.0016","90","","100.332","0.003","90","","6576.5","0.9","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","","- C84 H52 Cl Fe N12 O4 -","- C84 H52 Cl Fe N12 O4 -","- C336 H208 Cl4 Fe4 N48 O16 -","4","0.5","HB4470","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","IUCrData","2024","9","6","x240496","","10.1107/S2414314624004966","","","0.71073","MoKα","","0.0422","0.0352","","","0.0819","0.0877","","","","","","1.074","","","","has coordinates","300370","2025-07-05","10:13:53",""
"1571806","14.1426","0.0003","12.3103","0.0003","18.8707","0.0003","90","","98.492","0.002","90","","3249.36","0.12","100","","100.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","","- C34 H42 B F4 Ir N3 P -","- C34 H42 B F4 Ir N3 P -","- C136 H168 B4 F16 Ir4 N12 P4 -","4","2","HB4475","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","IUCrData","2024","9","6","x240501","","10.1107/S2414314624005017","","","0.71073","MoKα","","0.031","0.0272","","","0.065","0.0662","","","","","","1.083","","","","has coordinates,has disorder","300370","2025-07-05","10:13:53",""
"1571807","18.1245","0.0016","11.6689","0.001","26.067","0.002","90","","90.332","0.002","90","","5512.9","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","","- C63 H70 B2 Co N6 -","- C63 H70 B2 Co N6 -","- C252 H280 B8 Co4 N24 -","4","1","BX4029","Shin, Jeongcheol; Kim, Jin; Choi, Jonghoon","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","IUCrData","2024","9","6","x240539","","10.1107/S241431462400539X","","","0.71073","MoKα","","0.0897","0.0562","","","0.0971","0.1069","","","","","","1.142","","","","has coordinates","300370","2025-07-05","10:13:53",""
"1571941","7.55855","0.00008","12.16674","0.00013","16.00467","0.00017","90","","94.7152","0.001","90","","1466.85","0.03","290","2","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","","- C28 H30 N2 O12 S2 -","- C28 H30 N2 O12 S2 -","- C56 H60 N4 O24 S4 -","2","0.5","WM4216","Nazarov, Yusufjon Eshkobilovich; Turaev, Khayit Khudaynazarovich; Alimnazarov, Bekmurod Khurramovich; Suyunov, Jabbor Ruziboevich; Umirova, Gulnora Abdurakhmonovna; Ibragimov, Bakhtiyar Tulyaganovich; Ashurov, Jamshid Mengnorovich","Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","IUCrData","2024","9","6","x240570","","10.1107/S2414314624005704","","x-ray","1.54184","CuKα","","0.0328","0.0307","","","0.0869","0.0886","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:55",""
"1571964","7.3673","0.0003","11.2285","0.0004","12.5778","0.0005","104.974","0.004","101.964","0.004","103.46","0.004","937.1","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","6-[4-(<i>tert</i>-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","","- C19 H30 O2 Si -","- C19 H30 O2 Si -","- C38 H60 O4 Si2 -","2","1","HB4478","Wetzel, Edward A.; Lindeman, Sergey; Donaldson, William A.","6-[4-(tert-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","IUCrData","2024","9","6","x240590","","10.1107/S241431462400590X","","x-ray","1.54184","CuKα","","0.0484","0.0457","","","0.1276","0.1312","","","","","","1.097","","","","has coordinates","300370","2025-07-05","10:14:04",""
"1572024","21.5659","0.0003","21.5659","0.0003","5.0863","0.0001","90","","90","","90","","2365.58","0.07","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","3-(Pyridin-4-yl)-2,4-diaza-3-boratricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11-pentaene","2-(Pyridin-4-yl)-2,3-dihydro-1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinine","","- C15 H12 B N3 -","- C15 H12 B N3 -","- C120 H96 B8 N24 -","8","1","BX4031","Yamamoto, Ryo; Hashimoto, Shu; Okuno, Tsunehisa","2-(Pyridin-4-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine","IUCrData","2024","9","6","x240615","","10.1107/S2414314624006151","","x-ray","1.54184","CuKα","","0.0341","0.0314","","","0.0803","0.0825","","","","","","1.056","","","","has coordinates","300370","2025-07-05","10:14:16",""
"1572025","12.1954","0.0006","15.2657","0.0007","39.03","0.0016","90","","95.5629","0.0016","90","","7232","0.6","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquatetrakis(tetrahydrofuran-κ<i>O</i>)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 <i>Ga</i>–<i>Fe</i>)(<i>Fe</i>–<i>Fe</i>) tetrahydrofuran tetrasolvate","","- C49 H74 Cl4 Fe5 Ga4 O27 Si -","- C49 H74 Cl4 Fe5 Ga4 O27 Si -","- C196 H296 Cl16 Fe20 Ga16 O108 Si4 -","4","1","BT4151","Demmin, Mary Elizabeth; Bauer, Cary; Ruf, Michael; Harakas, George N.","trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydrofuran tetrasolvate","IUCrData","2024","9","6","x240620","","10.1107/S2414314624006205","","","0.71073","MoKa","","0.0568","0.0406","","","0.093","0.1004","","","","","","1.039","","","","has coordinates,has disorder","300370","2025-07-05","10:14:18",""
"1572026","3.7474","0.0002","11.6254","0.0006","13.7771","0.0008","68.407","0.005","85.779","0.004","89.843","0.004","556.37","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1,2,4,5-Tetrahydroxybenzene","Benzene-1,2,4,5-tetrol","","- C6 H6 O4 -","- C6 H6 O4 -","- C24 H24 O16 -","4","2","BX4030","Weare, Benjamin L.; Hoggett, Sean; Cull, William J.; Argent, Stephen P.; Khlobystov, Andrei N.; Brown, Paul D.","Benzene-1,2,4,5-tetrol","IUCrData","2024","9","6","x240612","","10.1107/S2414314624006126","","x-ray","1.54184","CuKα","","0.0521","0.0445","","","0.1263","0.1327","","","","","","1.087","","","","has coordinates","300370","2025-07-05","10:14:27",""
"1572119","9.681","0.002","18.411","0.004","13.163","0.003","90","","90","","90","","2346.1","0.9","223","2","223.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[μ~3~-2-(benzotriazol-1-yl)acetato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^3^]chlorido(ethanol-κ<i>O</i>)cobalt(II)]","","- C10 H12 Cl Co N3 O3 -","- C10 H12 Cl Co N3 O3 -","- C80 H96 Cl8 Co8 N24 O24 -","8","1","HB4477","Zheng, Yun-Yun; Su, De-Sen; Yao, Qing-Hua; Huang, Min-Min","Poly[[μ3-2-(benzotriazol-1-yl)acetato-κ3 O:O′:N 3]chlorido(ethanol-κO)cobalt(II)]","IUCrData","2024","9","7","x240630","","10.1107/S2414314624006308","","","0.71073","MoKα","","0.0564","0.0447","","","0.1156","0.1201","","","","","","1.089","","","","has coordinates,has disorder","300370","2025-07-05","10:14:30",""
"1572122","13.1598","0.0006","9.7142","0.0004","15.3369","0.0007","90","","115.257","0.001","90","","1773.19","0.14","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-1κ^2^<i>C</i>-μ-chlorido-2:3κ^2^<i>Cl</i>:<i>Cl</i>-pentachlorido-2κ^2^<i>Cl</i>,3κ^3^<i>Cl</i>-[1(η^6^)-toluene]digallium(III)ruthenium(I)(<i>Ru</i>—<i>Ga</i>)","","- C9 H8 Cl6 Ga2 O2 Ru -","- C9 H8 Cl6 Ga2 O2 Ru -","- C36 H32 Cl24 Ga8 O8 Ru4 -","4","1","BT4152","Smith, Danielle; Harakas, George N.","Dicarbonyl-1κ2 C-μ-chlorido-2:3κ2 Cl:Cl-pentachlorido-2κ2 Cl,3κ3 Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga)","IUCrData","2024","9","7","x240657","","10.1107/S2414314624006576","","","0.71073","MoKa","","0.0182","0.0163","","","0.0405","0.0411","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:14:34",""
"1572128","15.9086","0.0001","7.8088","0.0001","19.5342","0.0002","90","","106.157","0.001","90","","2330.83","0.04","92.95","","92.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","","- C23 H30 Cl N5 O3 Zn -","- C23 H30 Cl N5 O3 Zn -","- C92 H120 Cl4 N20 O12 Zn4 -","4","1","WM4217","Ichimaru, Yoshimi; Sugiura, Kirara; Kato, Koichi; Kondo, Yuki; Kurihara, Masaaki; Jin, Wanchun; Imai, Masanori; Kurosaki, Hiromasa","[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","IUCrData","2024","9","7","x240665","","10.1107/S2414314624006655","","","1.54184","CuKα","","0.0427","0.0414","","","0.1093","0.1101","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:14:36",""
"1572129","22.5897","0.0014","7.51","0.0004","16.3743","0.001","90","","94.716","0.002","90","","2768.5","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>':2κ^3^<i>O</i>'',<i>N</i>',<i>O</i>'''-bis[trioxidomolybdate(VI)] tetrahydrate","","- C14 H40 Mo2 N6 O18 -","- C14 H40 Mo2 N6 O18 -","- C56 H160 Mo8 N24 O72 -","4","0.5","BH4085","Yaffa, Lamine; Seye, Dame; Kama, Antoine Blaise; Toure, Assane; Diop, Cheikh Abdoul Khadir","Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ3 O,N,O′:2κ3 O′′,N′,O′′′-bis[trioxidomolybdate(VI)] tetrahydrate","IUCrData","2024","9","7","x240667","","10.1107/S2414314624006679","","","0.71073","MoKα","","0.0254","0.0223","","","0.0575","0.0597","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572135","10.2505","0.0004","18.6165","0.0009","10.6345","0.0005","90","","96.388","0.004","90","","2016.77","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H42 Cl2 N2 O2 Pd -","- C44 H42 Cl2 N2 O2 Pd -","- C88 H84 Cl4 N4 O4 Pd2 -","2","1","BX4025","Anzaldo, Bertin; Gutiérrez Pérez, René; Hernández Téllez, Guadalupe; Mendoza, Ángel; Moreno Morales, Gloria E.","Bis{(S)-(−)-N-[(2-biphenyl)methylidene]-1-(4-methoxyphenyl)ethylamine-κN}dichloridopalladium(II)","IUCrData","2024","9","7","x240555","","10.1107/S2414314624005558","","","0.71073","MoKα","","0.081","0.0405","","","0.0643","0.0766","","","","","","1.021","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572159","9.6253","0.0001","13.6771","0.0002","13.7938","0.0002","76.41","0.001","83.455","0.001","80.345","0.001","1734.78","0.04","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","","- C16 H27 Cl N3 Rh -","- C16 H27 Cl N3 Rh -","- C64 H108 Cl4 N12 Rh4 -","4","2","BT4153","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","IUCrData","2024","9","7","x240704","","10.1107/S2414314624007041","","","0.71073","MoKα","","0.0284","0.0252","","","0.0648","0.0663","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572202","6.5669","0.0018","9.414","0.003","27.57","0.009","90","","90","","90","","1704.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(η^6^-Benzene)chlorido[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)","","- C18 H20 Cl N O2 Ru -","- C18 H20 Cl N O2 Ru -","- C72 H80 Cl4 N4 O8 Ru4 -","4","1","ZL4075","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(η6-Benzene)chlorido[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)","IUCrData","2024","9","7","x240720","","10.1107/S241431462400720X","","","0.71073","MoKα","","0.0712","0.0447","","","0.0793","0.0888","","","","","","0.975","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572246","10.0296","0.0003","10.3718","0.0003","18.1424","0.0004","99.27","0.002","93.906","0.002","118.766","0.003","1609.45","0.09","100","","100","0.3","","","","","","","","7","P 1","P 1","1","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","","- C34 H42 B F4 N3 P Rh -","- C34 H42 B F4 N3 P Rh -","- C68 H84 B2 F8 N6 P2 Rh2 -","2","2","TK4108","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","IUCrData","2024","9","8","x240745","","10.1107/S2414314624007454","","","0.71073","MoKα","","0.0549","0.0487","","","0.1209","0.124","","","","","","1.032","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572306","14.7698","0.0007","6.673","0.0003","26.2392","0.0012","90","","102.231","0.005","90","","2527.4","0.2","305","","305","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(2-Phenylethyl)amino]benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","2","HB4476","Zhang, Kexin; Long, Sihui","4-[(2-Phenylethyl)amino]benzoic acid","IUCrData","2024","9","8","x240753","","10.1107/S2414314624007533","","x-ray","0.71073","MoKα","","0.0995","0.0582","","","0.1552","0.1754","","","","","","1.034","","","","has coordinates","300370","2025-07-05","10:14:38",""
"1572307","16.4966","0.0006","8.8166","0.0003","18.9475","0.0007","90","","99.265","0.002","90","","2719.85","0.17","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Pinaverium bromide","4-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-4-{2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl}morpholin-4-ium bromide","","- C26 H41 Br2 N O4 -","- C26 H41 Br2 N O4 -","- C104 H164 Br8 N4 O16 -","4","2","BH4086","Rousselin, Yoann; Clavel, Alexandre","Pinaverium bromide","IUCrData","2024","9","8","x240653","","10.1107/S2414314624006539","","x-ray","1.54178","CuKα","","0.0258","0.0251","","","0.0623","0.0627","","","","","","1.039","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572308","10.0564","0.0005","3.9985","0.0002","28.2235","0.0014","90","","97.744","0.005","90","","1124.53","0.1","304.55","0.1","304.55","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Benzyloxy)benzoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","HB4473","Song, Qiuyi; Long, Sihui","Redetermined structure of 4-(benzyloxy)benzoic acid","IUCrData","2024","9","8","x240752","","10.1107/S2414314624007521","","x-ray","0.71073","MoKα","","0.0627","0.0442","","","0.1223","0.1352","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:14:38",""
"1572357","10.4032","0.0001","18.8988","0.0003","14.8277","0.0002","90","","101.382","0.001","90","","2857.91","0.07","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diisobutylammonium triphenyl(2-thiolatoacetato-κ^2^<i>O</i>,<i>S</i>)stannate(IV)","","- C28 H37 N O2 S Sn -","- C28 H37 N O2 S Sn -","- C112 H148 N4 O8 S4 Sn4 -","4","1","TK4107","Song, Xueqing; Yeibyo, Woldegebriel; Li, William; Pike, Robert D.","Diisobutylammonium triphenyl(2-thiolatoacetato-κ2 O,S)stannate(IV)","IUCrData","2024","9","8","x240742","","10.1107/S2414314624007429","","","1.54178","CuKα","","0.0361","0.0317","","","0.0792","0.0819","","","","","","1.091","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572358","11.4514","0.0005","12.1629","0.0005","12.692","0.0005","67.9946","0.0013","67.3255","0.0014","65.8759","0.0014","1438.34","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichloridotetrakis(3-methoxyaniline)nickel(II)","","- C28 H36 Cl2 N4 Ni O4 -","- C28 H36 Cl2 N4 Ni O4 -","- C56 H72 Cl4 N8 Ni2 O8 -","2","1","","Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.","Dichloridotetrakis(3-methoxyaniline)nickel(II)","IUCrData","2024","9","8","x240776","","10.1107/S2414314624007764","","","0.71073","MoKα","","0.0722","0.0376","","","0.0765","0.0887","","","","","","1.006","","","","has coordinates","300370","2025-07-05","10:14:39",""
"1572377","6.6331","0.0003","7.5726","0.0003","24.6985","0.001","90","","97.141","0.004","90","","1230.98","0.09","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(<i>Z</i>)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","","- C10 H8 Br N3 O S2 -","- C10 H8 Br N3 O S2 -","- C40 H32 Br4 N12 O4 S8 -","4","1","HB4481","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","IUCrData","2024","9","8","x240787","","10.1107/S2414314624007879","","x-ray","1.54184","CuKα","","0.1143","0.0927","","","0.264","0.2933","","","","","","1.136","","","","has coordinates","300370","2025-07-05","10:14:40",""
"1572440","6.6241","0.0001","19.1629","0.0003","12.6062","0.0002","90","","93.136","0.001","90","","1597.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Norfloxacinium nitrate","4-(3-Carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium nitrate","","- C16 H19 F N4 O6 -","- C16 H19 F N4 O6 -","- C64 H76 F4 N16 O24 -","4","1","HB4480","Rasulov, Abdusamat; Torambetov, Batirbay; Alimnazarov, Bekmurod; Kadirova, Shakhnoza; Suyunov, Jabbor; Nazarov, Yusufjon; Ashurov, Jamshid","Norfloxacinium nitrate","IUCrData","2024","9","8","x240813","","10.1107/S2414314624008137","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.12","0.1262","","","","","","1.052","","","","has coordinates","300370","2025-07-05","10:14:41",""
"1572441","11.1008","0.0002","14.9561","0.0003","12.7221","0.0002","90","","91.486","0.001","90","","2111.47","0.07","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","","- C26 H57 Cu6 N11 O7 -","- C26 H57 Cu6 N11 O7 -","- C52 H114 Cu12 N22 O14 -","2","1","BH4088","Corfield, Peter W. R.; Salvi, Paul","Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12 C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","IUCrData","2024","9","8","x240845","","10.1107/S2414314624008459","","","0.7107","MoKα","","0.0641","0.0303","","","0.0747","0.0938","","","","","","1.126","","","","has coordinates,has disorder","300370","2025-07-05","10:14:44",""
"1572442","5.8868","0.0002","8.8927","0.0004","22.8226","0.0009","90","","90","","90","","1194.75","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Pyridinium tosylate","Pyridinium 4-methylbenzenesulfonate","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","HB4482","Hosten, Eric Cyriel; Betz, Richard","Pyridinium tosylate","IUCrData","2024","9","8","x240831","","10.1107/S2414314624008319","","","0.71073","MoKα","","0.0275","0.0266","","","0.0706","0.0715","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:14:44",""
"1572443","11.1045","0.0007","9.1489","0.0006","15.8088","0.0011","90","","92.21","0.001","90","","1604.88","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel-3(pyridin-2-ylpyrazolyl)3,5-dimethylpyrazole acetate","Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1<i>H</i>-pyrazole)nickel(II)]","","- C30 H34 N10 Ni2 O4 -","- C30 H34 N10 Ni2 O4 -","- C60 H68 N20 Ni4 O8 -","2","0.5","ZL4073","Pilavadi, Thangamuniyandi; Krishnan, Soundararajan; Loganathan, Nagarajan","Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1H-pyrazole)nickel(II)]","IUCrData","2024","9","8","x240810","","10.1107/S2414314624008101","","","0.71073","MoKα","","0.0327","0.03","","","0.0778","0.0794","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:14:44",""
"1572444","8.322","0.0004","9.2704","0.0004","9.4248","0.0004","108.101","0.002","99.515","0.002","99.749","0.002","662.46","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate","","- C20 H20 Cl6 N2 O6 Sn -","- C20 H20 Cl6 N2 O6 Sn -","- C20 H20 Cl6 N2 O6 Sn -","1","0.5","WM4218","Benhamada, Mohamed Siradj Eddine; Benlatreche, Tarek; Ghallab, Rochdi; Dénès, George; Merazig, Hocine","Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate","IUCrData","2024","9","8","x240826","","10.1107/S2414314624008265","","","0.71073","MoKα","","0.0132","0.0127","","","0.0325","0.033","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572540","7.3526","0.001","8.3354","0.0013","10.4053","0.0017","97.221","0.006","102.413","0.006","111.334","0.005","565.36","0.15","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-[(8-aminoquinoline)cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]","","- C9 H8 Co N8 -","- C9 H8 Co N8 -","- C18 H16 Co2 N16 -","2","1","BT4154","Setifi, Fatima; Setifi, Zouaoui; Geiger, David K.; Al-Douh, Mohammed Hadi; Addala, Abderezak","catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido]","IUCrData","2024","9","9","x240849","","10.1107/S2414314624008496","","","0.71073","MoKα","","0.0361","0.0314","","","0.0848","0.0875","","","","","","1.058","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572541","9.342","0.003","10.524","0.003","11.967","0.004","73.831","0.01","79.643","0.011","72.648","0.01","1072.6","0.6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)prop-2-en-1-one","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","HB4483","Sung, Jiha","(E)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one","IUCrData","2024","9","9","x240866","","10.1107/S2414314624008666","","","0.71073","MoKα","","0.0595","0.0443","","","0.1065","0.1154","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572564","12.7605","0.0002","22.4142","0.0004","25.0233","0.0004","90","","93.055","0.001","90","","7146.9","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylideneκ<i>C</i>]silver(I)} chloride 1,2-dichloroethane hemisolvate","","- C77 H82 Ag2 Cl3 N8 -","- C77 H82 Ag2 Cl3 N8 -","- C308 H328 Ag8 Cl12 N32 -","4","1","ZL4077","Malek, Kotiba; Arumugam, Kuppuswamy","μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate","IUCrData","2024","9","9","x240861","","10.1107/S2414314624008617","","","1.54178","CuKα","","0.039","0.0365","","","0.0903","0.0929","","","","","","1.059","","","","has coordinates,has disorder","300370","2025-07-05","10:14:45",""
"1572653","15.3094","0.0013","15.3094","0.0013","15.315","0.002","90","","90","","90","","3589.5","0.6","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","Δ-Bis[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>^1^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(III) hexafluoridophosphate","","- C36 H36 F6 N4 O4 P Ru -","- C36 H36 F6 N4 O4 P Ru -","- C144 H144 F24 N16 O16 P4 Ru4 -","4","0.5","WM4221","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2 N,O 1](1,10-phenanthroline-κ2 N,N′)ruthenium(III) hexafluoridophosphate","IUCrData","2024","9","9","x240893","","10.1107/S2414314624008939","","","0.71073","MoKα","","0.0569","0.038","","","0.0968","0.1073","","","","","","1.037","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572654","7.341","0.0001","7.341","0.0001","64.8549","0.0013","90","","90","","90","","3495.05","0.1","150","0.1","150","0.1","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(1<i>R</i>,2<i>S</i>,4a<i>R</i>,6<i>S</i>,8<i>R</i>,8a<i>S</i>)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","","- C18 H28 O4 -","- C18 H28 O4 -","- C144 H224 O32 -","8","1","BV4052","Botha, Christo J.; Fouche, Gerda; Malan, Frederick P.","(1R,2S,4aR,6S,8R,8aS)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","IUCrData","2024","9","9","x240885","","10.1107/S241431462400885X","","x-ray","1.54184","CuKα","","0.0458","0.0442","","","0.0966","0.0973","","","","","","1.131","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572655","8.2105","0.0003","14.4478","0.0006","15.2042","0.0008","90","","101.694","0.002","90","","1766.14","0.14","302","2","302","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Di-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^-bis[(2,2'-dipyridylamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] trihydrate","Di-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^-bis{[<i>N</i>-(pyridin-2-yl-κ<i>N</i>)pyridin-2-amine-κ<i>N</i>^1^]zinc(II)} trihydrate","","- C32 H40 N6 O11 Zn2 -","- C32 H40 N6 O11 Zn2 -","- C64 H80 N12 O22 Zn4 -","2","0.5","WM4220","Setifi, Fatima; Setifi, Zouaoui; Pham Chien, Thang; Al-Douh, Mohammad Hadi; Addala, Abderezak","Di-μ-adipato-κ4 O 1,O 1′:O 6,O 6′-bis[(2,2′-dipyridylamine-κ2 N,N′)zinc(II)] trihydrate","IUCrData","2024","9","9","x240906","","10.1107/S2414314624009064","","","0.71073","MoKα","","0.0856","0.0435","","","0.0883","0.1023","","","","","","1.02","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572656","6.9208","0.0004","13.2576","0.0008","14.5513","0.0009","110.068","0.003","90.497","0.003","100.082","0.003","1231.29","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diytterbium enneaoxidotritellurate(IV)","","- O9 Te3 Yb2 -","- O9 Te3 Yb2 -","- O54 Te18 Yb12 -","6","3","WM4219","Höss, Patrick; Chou, Sheng-Chun; Russ, Philip L.; Locke, Ralf J. C.; Schleid, Thomas","C-type Yb2Te3O9","IUCrData","2024","9","9","x240888","","10.1107/S2414314624008885","","","0.71069","MoKα","","0.0419","0.0325","","","0.0618","0.0651","","","","","","1.055","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572657","11.9299","0.0008","21.6278","0.0017","8.2665","0.0006","90","","108.251","0.006","90","","2025.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-[2'(2''-Methoxycarbonylethyl)-1',3',5',7'-tetramethyl-4',4'-difluoro-4'-bora-3a',4a'-diaza-s-indacen-6'-yl]propionic acid methyl ester","Methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-<i>s</i>-indacen-6-yl}propionate","","- C21 H27 B F2 N2 O4 -","- C21 H27 B F2 N2 O4 -","- C84 H108 B4 F8 N8 O16 -","4","1","HB4485","Schollmeyer, Dieter; Jochen, Matthias; Detert, Heiner","Redetermined structure of methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacen-6-yl}propionate","IUCrData","2024","9","9","x240884","","10.1107/S2414314624008848","","","0.71073","MoKα","","0.1757","0.0895","","","0.1824","0.2379","","","","","","1.094","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572725","11.323","0.004","11.323","0.004","11.323","0.004","90","","90","","90","","1451.7","0.9","296","2","296","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium diiron carbide oxide","","- C0.82 Fe2 O0.18 Ti4 -","- C0.82 Fe2 O0.18 Ti4 -","- C13.12 Fe32 O2.88 Ti64 -","16","0.0833333","WM5714","Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Ti4Fe2C0.82O0.18","IUCrData","2024","9","9","x240890","","10.1107/S2414314624008903","","","0.71073","MoKα","","0.0399","0.0218","","","0.0371","0.0399","","","","","","1.142","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572726","13.19118","0.00017","13.558","0.0002","38.8216","0.0007","90","","91.4236","0.0014","90","","6940.95","0.18","100","","100","0.4","","","","","","","","8","C 1 c 1","C -2yc","9","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","","- C34.5 H43 B Cl F4 Ir N3 P -","- C34.5 H43 B Cl F4 Ir N3 P -","- C276 H344 B8 Cl8 F32 Ir8 N24 P8 -","8","2","TK4109","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","IUCrData","2024","9","9","x240941","","10.1107/S2414314624009416","","","0.71073","MoKα","","0.0532","0.0506","","","0.1316","0.1331","","","","","","1.078","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572727","10.373","0.004","5.1899","0.0014","7.557","0.003","90","","99.94","0.03","90","","400.7","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromoacetamide","","- C2 H4 Br N O -","- C2 H4 Br N O -","- C8 H16 Br4 N4 O4 -","4","1","BH4089","Schwarzer, Anke; Stapf, Manuel","2-Bromoacetamide","IUCrData","2024","9","9","x240863","","10.1107/S2414314624008630","","x-ray","0.71073","MoKα","","0.0362","0.0275","","","0.0654","0.0682","","","","","","1.044","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572816","4.9897","0.0004","21.8014","0.0019","11.3394","0.0009","90","","92.995","0.008","90","","1231.84","0.18","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(<i>Z</i>)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","","- C11 H11 N3 O S2 -","- C11 H11 N3 O S2 -","- C44 H44 N12 O4 S8 -","4","1","HB4486","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Methyl 2-[(Z)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","IUCrData","2024","9","10","x240967","","10.1107/S2414314624009672","","x-ray","1.54184","CuKα","","0.1403","0.0788","","","0.1493","0.1853","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572817","7.3781","0.0006","8.005","0.0006","12.1306","0.0008","90","","99.767","0.007","90","","706.07","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dimethylpiperazine-2,3-dione","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","HB4484","Khamrang, Themmila; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham","1,4-Dimethylpiperazine-2,3-dione","IUCrData","2024","9","10","x240936","","10.1107/S2414314624009362","","","0.71073","MoKα","","0.0849","0.0634","","","0.1646","0.1814","","","","","","1.065","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572818","17.7036","0.0016","5.8468","0.0006","31.418","0.003","90","","90","","90","","3252.1","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>,<i>N</i>'-diphenylbenzimidamide <i>N</i>'-oxide","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C152 H120 Br8 N16 O8 -","8","2","HB4487","Saha, Arindam; Chartrand, Daniel; Cibian, Mihaela; Maris, Thierry; Hanan, Garry S.","4-Bromo-N,N′-diphenylbenzimidamide N′-oxide","IUCrData","2024","9","10","x240968","","10.1107/S2414314624009684","","x-ray","1.34139","GaKα","","0.078","0.055","","","0.1396","0.1581","","","","","","1.071","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572954","6.5088","0.0006","5.1758","0.0005","12.2175","0.0014","90","","101.649","0.01","90","","403.11","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-<i>N</i>-(4-hydroxyphenyl)acetamide","","- C8 H8 Cl N O2 -","- C8 H8 Cl N O2 -","- C16 H16 Cl2 N2 O4 -","2","1","TK4111","El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Ameziane El Hassani, Issam; Alsubari, Abdulsalam; Guerrab, Walid; A. Said, Musa; Ramli, Youssef","","IUCrData","2024","9","10","x241015","","10.1107/S2414314624010150","","","0.71073","MoKα","","0.06","0.039","","","0.0694","0.0809","","","","","","1.061","","","","has coordinates","300305","2025-07-03","09:18:37",""
"1572955","16.565","0.002","9.7051","0.0013","19.708","0.003","90","","99.376","0.007","90","","3126","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>meso</i>-5,15-Bis[3-(isopropylidenegalactopyranoxy)phenyl]-\ 10,20-bis(4-methylphenyl)porphyrin","<i>meso</i>-5,15-Bis{4-[{4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl)methoxy]phenyl}-10,20-bis(4-methylphenyl)porphyrin","","- C70 H70 N4 O12 -","- C70 H70 N4 O12 -","- C140 H140 N8 O24 -","2","1","BT4156","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","","IUCrData","2024","9","10","x241028","","10.1107/S2414314624010289","","","0.71075","MoKα","","0.235","0.0823","","","0.139","0.186","","","","","","0.93","","","","has coordinates","300305","2025-07-03","09:18:39",""
"1572956","10.1243","0.0004","23.941","0.001","7.5053","0.0003","90","","91.315","0.003","90","","1818.7","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-1-[(2-methoxyphenyl)amino]methanimine oxide","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","TK4110","Juma, David O.; Omondi, Bernard; Zamisa, Sizwe J.; Munzeiwa, Wisdom","","IUCrData","2024","9","10","x240988","","10.1107/S241431462400988X","","","0.71073","MoKα","","0.0747","0.0436","","","0.0954","0.1077","","","","","","1.033","","","","has coordinates","300305","2025-07-03","09:18:41",""
"1572990","20.5205","0.0009","8.1626","0.0003","9.4732","0.0004","90","","90.788","0.004","90","","1586.62","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride","","- C14 H20 Cl N O5 -","- C14 H20 Cl N O5 -","- C56 H80 Cl4 N4 O20 -","4","1","BT4157","Schollmeyer, Dieter; Proz, Igor; Detert, Heiner","1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride","IUCrData","2024","9","10","x241032","","10.1107/S2414314624010320","","","0.71073","MoKα","","0.045","0.0375","","","0.0927","0.0995","","","","","","1.069","","","","has coordinates,has disorder","300370","2025-07-05","10:14:47",""
"1572991","7.929","0.0007","15.3027","0.0015","10.0486","0.0006","90","","90","","90","","1219.25","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(1<i>H</i>-Benzodiazol-2-ylmethyl)diethylamine","","- C12 H17 N3 -","- C12 H17 N3 -","- C48 H68 N12 -","4","1","HB4488","Khamrang, Themmila; Kannan, A.; Hemamalini, Madhukar; Tahir, Muhammad Nawaz; Antony, G. Jerald Maria; Saravanan, Dhandayutham","(1H-Benzodiazol-2-ylmethyl)diethylamine","IUCrData","2024","9","10","x241006","","10.1107/S241431462401006X","","","0.71073","MoKα","","0.139","0.0657","","","0.1101","0.1296","","","","","","1.181","","","","has coordinates,has disorder","300370","2025-07-05","10:14:47",""
"1572992","24.8929","0.0009","8.5889","0.0004","11.2678","0.0004","90","","103.026","0.0012","90","","2347.09","0.16","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzilic acid","2,2-Diphenyl-2-hydroxyethanoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","BT4158","Prinsloo, Petrus; Hosten, Eric Cyriel; Betz, Richard","Benzilic acid: a monoclinic polymorph","IUCrData","2024","9","10","x241039","","10.1107/S2414314624010393","","","0.71073","MoKα","","0.0973","0.0808","","","0.1571","0.1748","","","","","","1.267","","","","has coordinates","300370","2025-07-05","10:14:48",""
"1573077","7.5555","0.0009","15.7119","0.0017","7.4892","0.0008","90","","90","","90","","889.05","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3a<i>H</i>,4<i>H</i>,5<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-Cycloocta[<i>d</i>][1,3]dioxole-2-thione","","- C9 H12 O2 S -","- C9 H12 O2 S -","- C36 H48 O8 S4 -","4","1","BT4155","Schollmeyer, Dieter; Kammler, Claudia; Detert, Heiner","3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione","IUCrData","2024","9","11","x241019","","10.1107/S2414314624010198","","","0.71073","MoKα","","0.1109","0.0698","","","0.1361","0.1594","","","","","","1.096","","","","has coordinates,has disorder","300370","2025-07-05","10:14:56",""
"1573078","8.6822","0.0002","10.0623","0.0002","16.5504","0.0004","77.201","0.001","84.053","0.001","73.839","0.001","1352.89","0.05","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","2","BH4090","Nyapola, Carren; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard","2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","IUCrData","2024","9","11","x241049","","10.1107/S2414314624010496","","x-ray","0.71073","MoKα","","0.0611","0.0438","","","0.1147","0.1271","","","","","","1.053","","","","has coordinates,has disorder","300370","2025-07-05","10:14:57",""
"1573079","7.5771","0.0005","21.128","0.0014","11.2665","0.0007","90","","95.835","0.002","90","","1794.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(4-chlorophenyl) phosphate","Tris(4-chlorophenyl) phosphate","","- C18 H12 Cl3 O4 P -","- C18 H12 Cl3 O4 P -","- C72 H48 Cl12 O16 P4 -","4","1","HB4490","Birch, Joshua; Hosten, Eric Cyriel; Betz, Richard","Tris(4-chlorophenyl) phosphate","IUCrData","2024","9","11","x241061","","10.1107/S2414314624010617","","","0.71073","MoKα","","0.0443","0.0376","","","0.0912","0.0969","","","","","","1.118","","","","has coordinates","300370","2025-07-05","10:14:59",""
"1573080","47.848","0.005","14.2452","0.0014","27.679","0.002","90","","90","","90","","18866","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,4-Bis(neopentyloxy)pillar[5]arene","","- C95 H140 N2 O10 -","- C95 H140 N2 O10 -","- C760 H1120 N16 O80 -","8","0.5","BT4159","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system","IUCrData","2024","9","11","x241073","","10.1107/S2414314624010733","","","0.71075","MoKα","","0.1504","0.0678","","","0.1548","0.1921","","","","","","0.993","","","","has coordinates,has disorder","300370","2025-07-05","10:15:00",""
"1573175","7.8436","0.0003","13.8612","0.0004","25.8433","0.0007","90","","90","","90","","2809.73","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-Dichloro-6-{<i>N</i>-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","","- C14 H8 Cl2 F3 N O -","- C14 H8 Cl2 F3 N O -","- C112 H64 Cl16 F24 N8 O8 -","8","1","PK4045","Xantini, Zizipho; Muller, Alfred; Lammertsma, Koop","2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","IUCrData","2024","9","11","x241074","","10.1107/S2414314624010745","","","0.71073","MoKα","","0.0467","0.0362","","","0.1024","0.1112","","","","","","1.06","","","","has coordinates","300370","2025-07-05","10:15:01",""
"1573207","11.15335","0.00007","17.41068","0.00009","14.0624","0.00009","90","","108.155","0.0007","90","","2594.8","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>RS</i>,3<i>SR</i>,4<i>RS</i>)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C104 H136 N8 O40 -","8","2","HB4491","Mohd Rosli, Nor Habibah; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate","IUCrData","2024","9","11","x241088","","10.1107/S2414314624010885","","x-ray","1.54184","CuKα","","0.0385","0.0361","","","0.1051","0.107","","","","","","1.077","","","","has coordinates,has disorder","300370","2025-07-05","10:15:06",""
"1573208","9.4438","0.0004","7.9296","0.0003","18.6153","0.0008","90","","90","","90","","1394.02","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]","","- C14 H10 N2 S2 Sn -","- C14 H10 N2 S2 Sn -","- C56 H40 N8 S8 Sn4 -","4","0.5","TK4112","Pancratz, Ann-Kathrin; Kamrowski, Anne; Reuter, Hans","catena-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]: an unprecedented layered coordination polymer resulting from bridging κ2 N:S thiocyanato ligands","IUCrData","2024","9","11","x241093","","10.1107/S2414314624010939","","","0.71073","MoKα","","0.0252","0.0208","","","0.0516","0.0553","","","","","","1.08","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573209","7.9646","0.0006","17.083","0.0015","8.0572","0.0006","90","","111.425","0.006","90","","1020.5","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(10<i>Z</i>)-4<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole","","- C10 H14 N2 Se -","- C10 H14 N2 Se -","- C40 H56 N8 Se4 -","4","1","BT4160","Schollmeyer, Dieter; Detert, Heiner","(10Z)-4H,5H,6H,7H,8H,9H-Cyclodeca[d][1,2,3]selenadiazole","IUCrData","2024","9","11","x241107","","10.1107/S2414314624011076","","","0.71073","MoKα","","0.0406","0.03","","","0.0624","0.0674","","","","","","1.124","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573262","11.1017","0.0005","12.6011","0.0007","30.7804","0.0017","90","","96.1058","0.0018","90","","4281.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triphenylphosphonium trichloridotriphenylphosphanecobaltate(II) benzene solvate","Triphenylphosphonium trichlorido(triphenylphosphane-κ<i>P</i>)cobaltate(II) benzene disolvate","","- C48 H43 Cl3 Co P2 -","- C48 H43 Cl3 Co P2 -","- C192 H172 Cl12 Co4 P8 -","4","1","WM4224","Ndima, Lubabalo; Hosten, Eric Cyriel; Betz, Richard","Triphenylphosphonium trichlorido(triphenylphosphane-κP)cobaltate(II) benzene disolvate","IUCrData","2024","9","11","x241121","","10.1107/S2414314624011210","","","0.71073","MoKα","","0.0419","0.0318","","","0.0709","0.0807","","","","","","1.104","","","","has coordinates,has disorder","300370","2025-07-05","10:15:06",""
"1573263","6.1616","0.0003","22.3074","0.001","5.0396","0.0002","90","","99.356","0.001","90","","683.47","0.05","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5,6-Trichloropyridin-2-ol","","- C5 H2 Cl3 N O -","- C5 H2 Cl3 N O -","- C20 H8 Cl12 N4 O4 -","4","1","HB4494","Vaughn, Tashonda M.; Soheil, Saneei; Ogundele, Olalekan M.; Fronczek, Frank R.; Uppu, Rao M.","3,5,6-Trichloropyridin-2-ol","IUCrData","2024","9","11","x241126","","10.1107/S241431462401126X","","","0.56086","AgKα","","0.0362","0.0343","","","0.0719","0.0725","","","","","","1.325","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573264","7.7496","0.0005","9.3778","0.0006","16.6178","0.001","79.516","0.003","83.962","0.003","69.52","0.003","1111.33","0.12","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis(azido-κ<i>N</i>^1^)bis(2,2'-dipyridylamine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iron(II) monohydrate","","- C20 H20 Fe N12 O -","- C20 H20 Fe N12 O -","- C40 H40 Fe2 N24 O2 -","2","1","WM4222","Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak","Bis(azido-κN 1)bis(2,2′-dipyridylamine-κ2 N 1,N 1′)iron(II) monohydrate","IUCrData","2024","9","11","x241116","","10.1107/S2414314624011167","","","0.71073","MoKα","","0.0736","0.0373","","","0.0854","0.1085","","","","","","1.094","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573366","6.4352","0.0004","12.2697","0.0011","15.5936","0.001","90","","90.29","0.003","90","","1231.22","0.16","100","2","100.01","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H12 Br N3 O3 -","- C11 H12 Br N3 O3 -","- C44 H48 Br4 N12 O12 -","4","1","TK4113","Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-imidazol-3-ium bromide","IUCrData","2024","9","11","x241138","","10.1107/S2414314624011386","","","0.71073","MoKα","","0.0182","0.017","","","0.0366","0.0369","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573367","7.7366","0.0003","29.5787","0.001","7.3852","0.0003","90","","91.962","0.002","90","","1689.03","0.11","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-(2-Methoxyphenyl)-2,2':6',2''-terpyridine","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","HB4497","Njogu, Eric M.; Juma, David O.; Zamisa, Sizwe J.; Omondi, Bernard; Nyamori, Vincent O.","4′-(2-Methoxyphenyl)-2,2′:6′,2′′-terpyridine","IUCrData","2024","9","11","x241143","","10.1107/S241431462401143X","","x-ray","0.71073","MoKα","","0.047","0.041","","","0.1141","0.1189","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573386","9.8411","0.0004","12.3319","0.0005","21.0912","0.001","90","","94.254","0.004","90","","2552.56","0.19","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","1","BT4161","Schollmeyer, Dieter; Jirsch, Paul; Detert, Heiner","rac-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid","IUCrData","2024","9","12","x241144","","10.1107/S2414314624011441","","","0.71073","MoKα","","0.048","0.0403","","","0.1029","0.1095","","","","","","1.031","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573387","8.8768","0.0003","18.3002","0.0007","10.5053","0.0003","90","","95.942","0.003","90","","1697.39","0.1","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-pyrazole","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C88 H68 Cl4 N8 -","4","1","HB4496","Koch, Pierre; Schollmeyer, Dieter","1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole","IUCrData","2024","9","12","x241152","","10.1107/S2414314624011520","","","0.71073","MoKα","","0.0627","0.0369","","","0.0805","0.089","","","","","","0.996","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573530","8.3617","0.0005","9.8067","0.0006","10.1251","0.0005","100.206","0.003","90.276","0.003","90.5","0.003","817.08","0.08","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis(quinoline-8-amine-κ^2^<i>N</i>,<i>N</i>')bis(1,1,3,3-tetracyano-2-methoxypropenido-κ<i>N</i>)iron(II)","","- C34 H22 Fe N12 O2 -","- C34 H22 Fe N12 O2 -","- C34 H22 Fe N12 O2 -","1","0.5","ZL4078","Setifi, Fatima; Setifi, Zouaoui; Böhme, Uwe; Al-Douh, Mohammad Hadi; Satour, Achouak","trans-Bis(quinoline-8-amine-κ2 N,N′)bis(1,1,3,3-tetracyano-2-methoxypropenido-κN)iron(II)","IUCrData","2024","9","12","x241219","","10.1107/S2414314624012197","","","0.71073","MoKα","","0.0495","0.0385","","","0.0955","0.1037","","","","","","1.058","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573531","10.17216","0.00008","9.2432","0.00006","17.64603","0.00014","90","","101.511","0.0008","90","","1625.77","0.02","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","1","HB4500","Abdul Rashid, Fatin Nur Ain; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Bakhtiar Afendy, Ayisy Amirul Afti; Cordes, David B.; McKay, Aidan P.","Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate","IUCrData","2024","9","12","x241222","","10.1107/S2414314624012227","","x-ray","1.54184","CuKα","","0.0436","0.04","","","0.104","0.1064","","","","","","1.057","","","","has coordinates,has disorder","300370","2025-07-05","10:15:07",""
"1573532","12.7044","0.0014","10.5123","0.0017","18.2491","0.0019","90","","105.372","0.012","90","","2350","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Bromo-9,9-diethyl-<i>N</i>,<i>N</i>-diphenylfluoren-2-amine","","- C29 H26 Br N -","- C29 H26 Br N -","- C116 H104 Br4 N4 -","4","1","HB4495","Khamrang, Themmila; Kannan, A.; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham","6-Bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine","IUCrData","2024","9","12","x241176","","10.1107/S2414314624011763","","","0.71073","MoKα","","0.0944","0.0479","","","0.0964","0.1168","","","","","","1.021","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573539","5.0748","0.0003","12.9872","0.0008","20.6243","0.0012","90","","90","","90","","1359.29","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Iodoaniline","3-Iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C48 H48 I8 N8 -","8","2","BX4032","Slamang, Ferhan; Hosten, Eric Cyriel; Betz, Richard","3-Iodoaniline","IUCrData","2024","9","12","x241226","","10.1107/S2414314624012264","","","0.71073","MoKα","","0.0549","0.0481","","","0.0772","0.0794","","","","","","1.25","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573540","8.792","0.005","11.674","0.007","24.976","0.014","90","","92.06","0.02","90","","2562","3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[μ~2~-1,4-bis(pyridin-3-ylmethyl)piperazine][μ~2~-4-(2-carboxylatoethyl)benzoato]cobalt(II)]","","- C26 H32 Co N4 O6 -","- C26 H32 Co N4 O6 -","- C104 H128 Co4 N16 O24 -","4","1","PK4046","Ezenyilimba, Frederick C.; LaDuca, Robert L.","Poly[diaqua[μ2-1,4-bis(pyridin-3-ylmethyl)piperazine][μ2-4-(2-carboxylatoethyl)benzoato]cobalt(II)]","IUCrData","2024","9","12","x241225","","10.1107/S2414314624012252","","","0.71073","MoKα","","0.1128","0.0639","","","0.1238","0.1427","","","","","","1.019","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573568","7.03475","0.00005","5.65165","0.00005","9.70464","0.00007","90","","106.852","0.0004","90","","369.267","0.005","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) sulfate dihydrate","","- H4 O10 S2 Sn -","- H4 O10 S2 Sn -","- H8 O20 S4 Sn2 -","2","0.5","WM4223","Fjellvåg, Øystein Slagtern; Fjellvåg, Helmer","Sn(SO4)2·2H2O from synchrotron powder data","IUCrData","2024","9","12","x241179","","10.1107/S2414314624011799","powder diffraction","x-ray","1.00098","Synchrotron","","0.0454","0.0429","","0.0473","0.0471","","","","1.9474","","","","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573569","6.7708","0.0001","17.2107","0.0002","12.3465","0.0002","90","","98.184","0.001","90","","1424.09","0.04","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-1,3-benzodiazol-3-ium bromide","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium bromide","","- C15 H14 Br N3 O3 -","- C15 H14 Br N3 O3 -","- C60 H56 Br4 N12 O12 -","4","1","HB4498","Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide","IUCrData","2024","9","12","x241168","","10.1107/S2414314624011684","","","0.71073","MoKα","","0.0299","0.0219","","","0.0539","0.0569","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573580","16.752","0.0003","7.27831","0.00016","15.9369","0.0003","90","","100.013","0.0017","90","","1913.53","0.07","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Chlorocurcumin","4-Chloro-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one","","- C21 H19 Cl O6 -","- C21 H19 Cl O6 -","- C84 H76 Cl4 O24 -","4","1","HB4501","Pham, Phuong-Truc T.; Bader, Mamoun M.","4-Chlorocurcumin","IUCrData","2025","10","1","x241243","","10.1107/S2414314624012434","","x-ray","1.54184","CuKα","","0.0403","0.0362","","","0.1036","0.1075","","","","","","1.068","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573581","5.6911","0.0004","7.9862","0.0004","24.9303","0.0014","90","","91.008","0.003","90","","1132.91","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)","","- C9 H10 Cl N O6 -","- C9 H10 Cl N O6 -","- C36 H40 Cl4 N4 O24 -","4","1","TK4114","Sadikhova, Nurlana D.; Muradova, Farida M.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Zangrando, Ennio; Belay, Alebel N.","Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)","IUCrData","2025","10","1","x241242","","10.1107/S2414314624012422","","","0.71073","MoKα","","0.0337","0.0308","","","0.0802","0.0819","","","","","","1.104","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573613","8.4191","0.0003","23.1476","0.0009","9.9079","0.0003","90","","94.709","0.003","90","","1924.35","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(η^6^-Benzene)chlorido[2-(pyridin-2-yl)quinoline-κ^2^<i>N</i>,<i>N</i>']\ ruthenium(II) tetrafluoridoborate","","- C20 H16 B Cl F4 N2 Ru -","- C20 H16 B Cl F4 N2 Ru -","- C80 H64 B4 Cl4 F16 N8 Ru4 -","4","1","WM4225","Varadhan, Manikandan; Passi, Ibanpynhunlang; Chinnathangavel, Thangaraja; Rajendiran, Venugopal","(η6-Benzene)chlorido[2-(pyridin-2-yl)quinoline-κ2 N,N′]ruthenium(II) tetrafluoridoborate","IUCrData","2025","10","1","x241240","","10.1107/S2414314624012409","","","0.71073","MoKα","","0.0464","0.0396","","","0.0896","0.0931","","","","","","1.129","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573614","9.5725","0.0003","9.5725","0.0003","27.576","0.0011","90","","90","","90","","2526.86","0.15","200","2","200","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Tetraphenylglycolide tetrahydrofuran monosolvate","3,3,6,6-Tetraphenyl-1,4-dioxane-2,5-dione tetrahydrofuran monosolvate","","- C32 H24 O5 -","- C32 H24 O5 -","- C128 H96 O20 -","4","0.5","BV4054","Ndima, Lubabalo; Hosten, Eric Cyriel; Betz, Richard","Tetraphenylglycolide tetrahydrofuran monosolvate","IUCrData","2025","10","1","x241241","","10.1107/S2414314624012410","","","0.71073","MoKα","","0.0616","0.0564","","","0.1711","0.1759","","","","","","1.091","","","","has coordinates,has disorder","300370","2025-07-05","10:15:07",""
"1573615","9.6669","0.0003","11.944","0.0004","36.0164","0.0009","90","","90","","90","","4158.5","0.2","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Di-<i>tert</i>-butyldiisothiocyanatotin(IV)","","- C10 H18 N2 S2 Sn -","- C10 H18 N2 S2 Sn -","- C120 H216 N24 S24 Sn12 -","12","1.5","HB4502","Kamrowski, Anne; Reuter, Hans","Di-tert-butyldiisothiocyanatotin(IV)","IUCrData","2025","10","1","x241244","","10.1107/S2414314624012446","","","0.71073","MoKα","","0.0492","0.0333","","","0.0618","0.0672","","","","","","1.117","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573684","8.1174","0.0003","9.5597","0.0004","10.258","0.0004","90","","109.734","0.0014","90","","749.27","0.05","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Acetyl α-<i>D</i>-2,3,4-triacetyllyxopyranoside","","- C13 H18 O9 -","- C13 H18 O9 -","- C26 H36 O18 -","2","1","HB4504","Culver, Shawn; Rhoad, Jonathan S.","","IUCrData","2025","10","1","x250016","","10.1107/S2414314625000161","","","1.54178","CuKα","","0.032","0.0317","","","0.0755","0.0757","","","","","","1.113","","","","has coordinates","300305","2025-07-03","09:19:29",""
"1573685","12.47742","0.00016","15.1037","0.0002","15.7031","0.0002","75.3037","0.0014","72.5571","0.0013","71.7565","0.0013","2639.28","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Methyl 2-amino-4-(morpholin-4-yl)benzo[<i>d</i>]thiazole-6-carboxylate tetartohydrate","","- C13 H15.5 N3 O3.25 S -","- C13 H15.5 N3 O3.25 S -","- C104 H124 N24 O26 S8 -","8","4","HB4503","Uran, Erik; Cotman, Andrej Emanuel; Lozinšek, Matic","","IUCrData","2025","10","1","x241249","","10.1107/S2414314624012495","","x-ray","1.54184","CuKα","","0.0325","0.0307","","","0.0855","0.0872","","","","","","1.065","","","","has coordinates","300305","2025-07-03","09:19:29",""
"1573865","23.3025","0.0011","23.3025","0.0011","11.2648","0.0005","90","","90","","90","","6116.9","0.5","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Poly[[bis(μ~4~-acetato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')tetrakis(μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(μ~3~-hydroxido)pentanickel(II)] 2.60-hydrate]","","- C16 H31.2 Ni5 O20.6 -","- C16 H26 Ni5 O20.602 -","- C128 H208 Ni40 O164.816 -","8","0.5","BT4163","Pfeiffer, Maximilian; Stöger, Berthold; Weil, Matthias","Poly[[bis(μ4-acetato-κ4 O:O:O′:O′)tetrakis(μ3-acetato-κ3 O:O:O′)bis(μ2-acetato-κ2 O:O′)bis(μ3-hydroxido)pentanickel(II)] 2.60-hydrate]","IUCrData","2025","10","2","x250082","","10.1107/S2414314625000823","","x-ray","0.71073","MoKα","","0.0926","0.0376","","","0.0626","0.0688","","","","","","0.826","","","","has coordinates,has disorder","300370","2025-07-05","10:15:08",""
"1573866","14.9741","0.0002","6.3842","0.0001","10.0741","0.0001","90","","90.435","0.001","90","","963.03","0.02","100","","100.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-<i>tert</i>-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide","","- C18 H28 Br N3 -","- C18 H28 Br N3 -","- C36 H56 Br2 N6 -","2","1","HB4505","Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","4-(4-tert-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide","IUCrData","2025","10","2","x250092","","10.1107/S2414314625000926","","","1.54184","CuKα","","0.0454","0.0428","","","0.1149","0.1354","","","","","","1.147","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573925","5.5532","0.0003","12.0594","0.0005","17.023","0.0008","86.599","0.006","83.723","0.006","82.426","0.006","1122.11","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis{4-(allyloxy)-<i>N</i>'-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)","Bis(<i>N</i>'-{[4-(octyloxy)phenyl]methylidene}-4-(prop-2-en-1-yloxy)benzohydrazidato)nickel(II)","","- C50 H62 N4 Ni O6 -","- C50 H62 N4 Ni O6 -","- C50 H62 N4 Ni O6 -","1","0.5","BX4033","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Bis{4-(allyloxy)-N′-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)","IUCrData","2025","10","2","x250120","","10.1107/S2414314625001208","","","0.71075","MoKα","","0.0661","0.0441","","","0.0871","0.0944","","","","","","1.018","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573984","2.9895","0.0006","2.9895","0.0006","2.9895","0.0006","90","","90","","90","","26.717","0.009","296","2","296","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Titanium vanadium nickel","","- Ni0.92 Ti V0.08 -","- Ni0.92 Ti V0.08 -","- Ni0.92 Ti V0.08 -","1","0.0208333","HB4492","Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Titanium vanadium nickel, TiV0.08Ni0.92","IUCrData","2025","10","2","x250147","","10.1107/S2414314625001476","","","0.71073","MoKα","","0.0246","0.0223","","","0.0375","0.0386","","","","","","1.385","","","","has coordinates,has disorder","300370","2025-07-05","10:15:09",""
"1574036","15.37","0.003","5.4488","0.001","16.339","0.003","90","","117.426","0.007","90","","1214.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Coumarin ester","2-Oxo-2<i>H</i>-chromen-7-yl 3-methylbutanoate","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","BH4093","Abou, Akoun; Bazié, Hypolite; Akonan, Ludovic; Djandé, Abdoulaye; Francotte, Pierre","2-Oxo-2H-chromen-7-yl 3-methylbutanoate","IUCrData","2025","10","2","x250161","","10.1107/S2414314625001610","","","0.71073","MoKα","","0.0861","0.0659","","","0.1812","0.2025","","","","","","1.029","","","","has coordinates","300370","2025-07-05","10:15:09",""
"1574037","10.3372","0.0014","11.3286","0.0015","12.4559","0.0016","105.428","0.007","114.185","0.007","97.344","0.008","1235.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,2'-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C27 H36 O5 -","- C27 H36 O5 -","- C54 H72 O10 -","2","1","VM4064","Suresh Babu, N.; Anbu Chudar Azhagan, S.; Loganathan, B.; Sughanya, V.; Ayyappan, J.","2,2′-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","IUCrData","2025","10","2","x250180","","10.1107/S2414314625001804","","","0.71073","MoKα","","0.1289","0.0516","","","0.11","0.1445","","","","","","1.015","","","","has coordinates","300370","2025-07-05","10:15:10",""
"1574038","8.4924","0.0007","9.3927","0.0007","9.7799","0.0008","71.379","0.006","86.439","0.007","74.119","0.006","710.78","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","3-(2-Ethoxy-2-oxoethyl)-4,5,6,7,8,9-hexahydrocycloocta[<i>d</i>][1,2,3]selenadiazol-3-ium bromide","","- C12 H19 Br N2 O2 Se -","- C12 H19 Br N2 O2 Se -","- C24 H38 Br2 N4 O4 Se2 -","2","1","BT4164","Schollmeyer, Dieter; Detert, Heiner","3-(2-Ethoxy-2-oxoethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]selenadiazol-3-ium bromide","IUCrData","2025","10","2","x250143","","10.1107/S2414314625001439","","","0.71073","MoKα","","0.0394","0.0354","","","0.0927","0.0963","","","","","","1.098","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574065","15.4238","0.0013","16.1528","0.0014","18.2354","0.0016","90","","111.508","0.002","90","","4226.8","0.6","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido{2-[(4-chlorophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}(η^6^-toluene)ruthenium(II) hexafluoridophosphate","","- C19 H17 Cl2 F6 N2 P Ru -","- C19 H17 Cl2 F6 N2 P Ru -","- C152 H136 Cl16 F48 N16 P8 Ru8 -","8","2","BH4091","Gichumbi, Joel; Friedrich, Holger B.; Zamisa, Sizwe J.","Chlorido{2-[(4-chlorophenyl)iminomethyl]pyridine-κ2 N,N′}(η6-toluene)ruthenium(II) hexafluoridophosphate","IUCrData","2025","10","3","x250103","","10.1107/S2414314625001038","","x-ray","0.71073","MoKα","","0.0603","0.0381","","","0.0795","0.0891","","","","","","1.031","","","","has coordinates,has disorder","300370","2025-07-05","10:15:19",""
"1574159","4.438","0.0002","10.5115","0.0004","17.3105","0.0006","90","","90","","90","","807.54","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(4-Amino-3-methylphenyl)sulfanyl]formonitrile","2-Methyl-4-thiocyanatoaniline","","- C8 H8 N2 S -","- C8 H8 N2 S -","- C32 H32 N8 S4 -","4","1","BT4165","Lange, Erik de; Hosten, Eric Cyriel; Betz, Richard","2-Methyl-4-thiocyanatoaniline","IUCrData","2025","10","3","x250216","","10.1107/S2414314625002160","","","0.71073","MoKα","","0.0532","0.0425","","","0.0697","0.0749","","","","","","1.159","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574194","32.5164","0.0015","8.8531","0.0005","13.5952","0.0006","90","","90","","90","","3913.7","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II) monohydrate","","- C18 H18 Fe N10 O -","- C18 H18 Fe N10 O -","- C144 H144 Fe8 N80 O8 -","8","1","ZL4079","Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak","Bis(azido-κN)bis(quinolin-8-amine-κ2 N,N′)iron(II) monohydrate","IUCrData","2025","10","3","x250235","","10.1107/S2414314625002354","","","0.71073","MoKα","","0.0926","0.0473","","","0.09","0.0995","","","","","","0.932","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574233","7.4231","0.0004","13.2052","0.0005","12.2802","0.0007","90","","99.725","0.004","90","","1186.45","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-4<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,10<i>H</i>,11<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole-8-carboxylic acid","","- C11 H16 N2 O2 Se -","- C11 H16 N2 O2 Se -","- C44 H64 N8 O8 Se4 -","4","1","VM4065","Schollmeyer, Dieter; Detert, Heiner","rac-4H,5H,6H,7H,8H,9H,10H,11H-Cyclodeca[d][1,2,3]selenadiazole-8-carboxylic acid","IUCrData","2025","10","3","x250242","","10.1107/S2414314625002421","","","0.71073","MoKα","","0.0429","0.0317","","","0.0812","0.0853","","","","","","1.041","","","","has coordinates,has disorder","300370","2025-07-05","10:15:19",""
"1574278","22.6427","0.0003","15.6971","0.0002","20.1469","0.0003","90","","106.08","0.002","90","","6880.55","0.18","149.99","0.1","149.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(2-methoxyphenyl)diphenylphosphane-κ<i>P</i>](nitrito-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C38 H34 Ag N O4 P2 -","- C38 H34 Ag N O4 P2 -","- C304 H272 Ag8 N8 O32 P16 -","8","1","TK4116","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","Bis[(2-methoxyphenyl)diphenylphosphane-κP](nitrito-κ2 O,O′)silver(I)","IUCrData","2025","10","3","x250193","","10.1107/S2414314625001932","","x-ray","0.71073","MoKα","","0.0391","0.0311","","","0.0736","0.076","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574279","19.1096","0.0003","13.69762","0.00018","18.5399","0.0002","90","","96.4031","0.0012","90","","4822.66","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate","","- C24 H28 N4 O8 -","- C24 H28 N4 O8 -","- C192 H224 N32 O64 -","8","2","BT4166","Palacios Rodríguez, José Carlos; Mendoza, Angel; Sosa Rivadeneyra, Martha; Bernès, Sylvain","2-[3-(1H-Benzimidazol-2-yl)propyl]-1H-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate","IUCrData","2025","10","3","x250256","","10.1107/S2414314625002561","","x-ray","0.71073","MoKα","","0.0719","0.0492","","","0.1292","0.1452","","","","","","1.038","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574375","14.3478","0.0004","13.5179","0.0003","17.9803","0.0005","90","","111.215","0.003","90","","3250.98","0.16","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Nitrito-κ^2^<i>O</i>:<i>O</i>')bis[tris(4-fluorophenyl)phosphine-κ<i>P</i>]silver(I)","","- C36 H24 Ag F6 N O2 P2 -","- C36 H24 Ag F6 N O2 P2 -","- C144 H96 Ag4 F24 N4 O8 P8 -","4","1","WM4226","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","(Nitrito-κ2 O:O′)bis[tris(4-fluorophenyl)phosphine-κP]silver(I)","IUCrData","2025","10","4","x250296","","10.1107/S2414314625002962","","x-ray","0.71073","MoKα","","0.034","0.0263","","","0.0605","0.0635","","","","","","1.045","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574415","9.8976","0.0004","22.3449","0.001","8.6049","0.0003","90","","105.549","0.001","90","","1833.42","0.13","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Nonamagnesium diruthenium","","- Mg9 Ru2 -","- Mg9 Ru2 -","- Mg72 Ru16 -","8","1","WM4227","Li, Junhui; Liu, Huizi; Liu, Yibo; Wen, Bin; Zhang, Lifeng; Fan, Changzeng","Nonamagnesium diruthenium, Mg9Ru2","IUCrData","2025","10","4","x250305","","10.1107/S2414314625003050","","","0.71073","MoKα","","0.0499","0.0313","","","0.0557","0.0587","","","","","","1.103","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574421","4.041","0.003","4.041","0.003","10.01","0.009","90","","90","","90","","163.5","0.2","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","Calcium copper iron disilicide","","- Ca Cu1.42 Fe0.58 Si2 -","- Ca Cu1.42 Fe0.58 Si2 -","- Ca2 Cu2.84 Fe1.16 Si4 -","2","0.0625","BT4168","Dai, Yangkun; Liu, Yibo; Mihalkovic, Marek; Wen, Bin; Zhang, Lifeng; Fan, Changzeng","CaCu1.424Fe0.576Si2","IUCrData","2025","10","4","x250325","","10.1107/S2414314625003256","","","0.71073","MoKα","","0.0944","0.0711","","","0.1472","0.1557","","","","","","1.288","","","","has coordinates,has disorder","300370","2025-07-05","10:15:20",""
"1574503","10.867","0.0004","15.2671","0.0006","19.1569","0.0008","90","","97.463","0.002","90","","3151.4","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4<i>H</i>-pyran-3-carbonitrile dichloromethane hemisolvate","","- C31 H28 Cl2 F2 N4 O4 -","- C30.9999 H27.9998 Cl1.9998 F2 N4 O4 -","- C124 H111.999 Cl7.9992 F8 N16 O16 -","4","1","HB4509","Nyapola, Carren; Zamisa, Sizwe J.; Omondi, Bernard; Njogu, Eric M.","5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4H-pyran-3-carbonitrile dichlomethane hemisolvate","IUCrData","2025","10","4","x250337","","10.1107/S2414314625003372","","x-ray","0.71073","MoKα","","0.0964","0.074","","","0.2132","0.2387","","","","","","1.077","","","","has coordinates,has disorder","300370","2025-07-05","10:15:20",""
"1574504","9.43","0.003","9.997","0.004","10.203","0.004","99.833","0.014","107.559","0.014","106.866","0.014","841.7","0.6","297","2","297","2","","","","","","","","4","P -1","-P 1","2","4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-<i>kl</i>]acridin-1(2<i>H</i>)-one","11,11-Dimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.0^2,7^.0^13,16^]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C44 H36 N4 O2 -","2","1","HB4513","Islam, Izarul; Kanti Roy, Pijush; Zangrando, Ennio; Gopal Karmaker, Pran; Nath Roy, Harendra","4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-kl]acridin-1(2H)-one","IUCrData","2025","10","4","x250361","","10.1107/S241431462500361X","","","0.71073","MoKα","","0.0629","0.0532","","","0.1325","0.1378","","","","","","1.118","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574552","5.4485","0.0013","20.347","0.005","7.486","0.0017","90","","102.123","0.004","90","","811.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Chloropropiophenone","3-Chloro-1-phenylpropan-1-one","","- C9 H9 Cl O -","- C9 H9 Cl O -","- C36 H36 Cl4 O4 -","4","1","BT4169","Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, Tim","3-Chloropropiophenone","IUCrData","2025","10","4","x250349","","10.1107/S2414314625003499","","","0.71073","MoKα","","0.0505","0.038","","","0.0895","0.0953","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:15:21",""
"1574629","13.271","0.003","13.904","0.003","11.206","0.002","90","","105.547","0.006","90","","1992.1","0.7","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>tert</i>-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate","","- C18 H23 F N2 O6 S -","- C18 H23 F N2 O6 S -","- C72 H92 F4 N8 O24 S4 -","4","1","VM4067","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.","tert-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate","IUCrData","2025","10","5","x250385","","10.1107/S2414314625003852","","x-ray","0.71073","MoKα","","0.0634","0.0423","","","0.0823","0.0902","","","","","","1.015","","","","has coordinates","300370","2025-07-05","10:15:22",""
"1574630","9.5469","0.0004","8.983","0.0003","21.8191","0.0007","90","","90","","90","","1871.2","0.12","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(1<i>Z</i>)-Cyclodec-5-yn-1-ylidene]hydroxylamine","","- C10 H15 N O -","- C10 H15 N O -","- C80 H120 N8 O8 -","8","1","BT4170","Detert, Heiner; Schollmeyer, Dieter","N-[(1Z)-Cyclodec-5-yn-1-ylidene]hydroxylamine","IUCrData","2025","10","5","x250414","","10.1107/S2414314625004146","","","0.71073","MoKα","","0.0492","0.0422","","","0.1056","0.1112","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:15:22",""
"1574631","5.5676","0.0005","33.185","0.003","7.6949","0.0005","90","","90.325","0.002","90","","1421.7","0.2","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-[Oxybis(benzene-4,1-diyl)]diacetamide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","HB4515","Uppu, Rao M.; Agu, Ogad A.; Babu, Sainath; Mensah, Patrick F.; Fronczek, Frank R.","N,N′-[Oxybis(benzene-4,1-diyl)]diacetamide","IUCrData","2025","10","5","x250384","","10.1107/S2414314625003840","","","0.56086","AgKα","","0.0778","0.0652","","","0.1682","0.1792","","","","","","1.049","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574632","5.5734","0.0009","8.1618","0.0013","10.6194","0.0016","98.577","0.002","96.441","0.002","102.546","0.002","461","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(4-Bromophenyl)but-2-en-1-one","","- C10 H9 Br O -","- C10 H9 Br O -","- C20 H18 Br2 O2 -","2","1","WM4228","Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, Tim","(E)-1-(4-Bromophenyl)but-2-en-1-one","IUCrData","2025","10","5","x250415","","10.1107/S2414314625004158","","","0.71073","MoKα","","0.0221","0.0194","","","0.0497","0.0511","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574633","7.2217","0.0004","15.6664","0.0008","8.4925","0.0005","90","","90.11","0.004","90","","960.82","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,12-Diselena-5,6,13,14-tetraazatricyclo[9.3.0.0^3,7^]tetradeca-1(11),3(7),5,13-tetraene","","- C8 H8 N4 Se2 -","- C8 H8 N4 Se2 -","- C32 H32 N16 Se8 -","4","1","VM4066","Schollmeyer, Dieter; Detert, Heiner","4,12-Diselena-5,6,13,14-tetraazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),5,13-tetraene","IUCrData","2025","10","5","x250324","","10.1107/S2414314625003244","","","0.71073","MoKα","","0.0357","0.0293","","","0.0672","0.0709","","","","","","1.171","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574634","7.4809","0.0002","10.5655","0.0002","12.0412","0.0003","97.593","0.002","104.947","0.002","94.357","0.002","905.43","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2'-Amino-5'-benzoyl-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carbonitrile","","- C21 H14 Br N3 O3 -","- C21 H14 Br N3 O3 -","- C42 H28 Br2 N6 O6 -","2","1","HB4511","Naghiyev, Farid N.; Hökelek, Tuncer; Khrustalev, Victor N.; Khalilov, Ali N.; Belay, Alebel N.","2′-Amino-5′-benzoyl-5-bromo-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-3′-carbonitrile","IUCrData","2025","10","5","x250374","","10.1107/S2414314625003748","","","1.54184","CuKα","","0.0416","0.0403","","","0.1157","0.1173","","","","","","1.069","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574635","14.0683","0.0002","18.4885","0.0002","17.7569","0.0002","90","","93.407","0.001","90","","4610.44","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate","","- C48 H64 Cl4 N6 Zn -","- C48 H64 Cl4 N6 Zn -","- C192 H256 Cl16 N24 Zn4 -","4","1","BX4034","Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa","Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate","IUCrData","2025","10","5","x250356","","10.1107/S2414314625003566","","","1.54184","CuKα","","0.0522","0.0495","","","0.1348","0.1377","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574718","14.5669","0.0008","10.8981","0.0006","19.4595","0.0009","90","","98.782","0.005","90","","3053","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-bipyridin-1-ium) <i>cis</i>-bis(1,2-dicyano-2-sulfidoethene-1-sulfinato-κ^2^<i>S</i>,<i>S</i>')platinate(2-)","","- C28 H18 N8 O4 Pt S4 -","- C28 H18 N8 O4 Pt S4 -","- C112 H72 N32 O16 Pt4 S16 -","4","0.5","BH4095","Welton, Claire E.; Reinheimer, Eric W.; Smucker, Bradley W.","Bis(4,4′-bipyridin-1-ium) cis-bis(1,2-dicyano-2-sulfidoethene-1-sulfinato-κ2 S,S′)platinate(2−)","IUCrData","2025","10","5","x250383","","10.1107/S2414314625003839","","x-ray","0.71073","MoKα","","0.0505","0.0306","","","0.0612","0.0663","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574765","8.58301","0.00008","7.87355","0.00007","26.1616","0.0002","90","","93.6036","0.0008","90","","1764.47","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{(<i>E</i>)-<i>N</i>,<i>N</i>-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)","","- C15 H16 Cd Cl2 N4 S -","- C15 H16 Cd Cl2 N4 S -","- C60 H64 Cd4 Cl8 N16 S4 -","4","1","BT4171","Parry, Christian S.; Kwabi-Addo, Bernard; Ramadhar, Timothy R.; Butcher, Raymond J.","Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)","IUCrData","2025","10","5","x250464","","10.1107/S241431462500464X","","x-ray","1.54184","CuKα","","0.0297","0.0266","","","0.0694","0.071","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574766","9.1997","0.0006","15.1692","0.0008","16.7138","0.0009","110.129","0.0013","100.749","0.0016","94.2372","0.0015","2127.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(3<i>Z</i>)-4-Methyl-9-(4-methylbenzenesulfonyl)-<i>N</i>-phenyl-3<i>H</i>,9<i>H</i>-thiopyrano[3,4-<i>b</i>]indol-3-imine","","- C25 H20 N2 O2 S2 -","- C25 H20 N2 O2 S2 -","- C100 H80 N8 O8 S8 -","4","2","BT4173","Dassonneville, Benjamin; Detert, Heiner; Schollmeyer, Dieter","(3Z)-4-Methyl-9-(4-methylbenzenesulfonyl)-N-phenyl-3H,9H-thiopyrano[3,4-b]indol-3-imine","IUCrData","2025","10","5","x250475","","10.1107/S2414314625004754","","","0.71073","MoKα","","0.0704","0.0442","","","0.1063","0.1201","","","","","","1.014","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574767","9.9236","0.0003","10.3042","0.0004","12.9748","0.0005","66.684","0.004","80.942","0.003","66.66","0.003","1118.69","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaqua(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)di-μ~2~-oxalato-dipraseodymium(III)] 4.29-hydrate]","","- C11 H17 N O21.294 Pr2 -","- C11 H17 N O21.294 Pr2 -","- C22 H34 N2 O42.588 Pr4 -","2","1","ZL4083","Khurshid, Aaqib; Rujiwatra, Apinpus; Chuasaard, Thammanoon","Poly[[tetraaqua(μ3-4-hydroxypyridine-2,6-dicarboxylato)di-μ2-oxalato-dipraseodymium(III)] 4.29-hydrate]","IUCrData","2025","10","5","x250456","","10.1107/S2414314625004560","","","0.71073","MoKα","","0.0509","0.0357","","","0.0749","0.0851","","","","","","1.048","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574768","9.244","0.0004","10.3415","0.0004","11.0093","0.0005","65.358","0.003","66.714","0.002","81.236","0.002","878.59","0.07","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile monohydrate","","- C20 H20 Fe N2 O3 -","- C20 H20 Fe N2 O3 -","- C40 H40 Fe2 N4 O6 -","2","1","ZL4082","Nyapola, Carren; Juma, David O.; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard","2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate","IUCrData","2025","10","5","x250468","","10.1107/S2414314625004687","","x-ray","0.71073","MoKα","","0.0472","0.039","","","0.0989","0.1051","","","","","","1.055","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574769","16.418","0.0005","9.9205","0.0003","15.2137","0.0005","90","","95.722","0.003","90","","2465.58","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-4-[(4-methylphenyl)amino]benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","HB4493","He, Fang; Long, Sihui","2-Methyl-4-[(4-methylphenyl)amino]benzoic acid","IUCrData","2025","10","5","x250455","","10.1107/S2414314625004559","","x-ray","1.54184","CuKα","","0.0494","0.0459","","","0.1299","0.1332","","","","","","1.095","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574770","7.8421","0.0003","12.3037","0.0005","16.0821","0.0006","90","","96.081","0.003","90","","1542.98","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate","","- C14 H11 N3 O8 S2 -","- C14 H11 N3 O8 S2 -","- C56 H44 N12 O32 S8 -","4","1","HB4518","Tsemeugne, Joseph; Djossu, Didier Forest Kouganou; Schollmeyer, Dieter; Mkounga, Pierre","2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate","IUCrData","2025","10","5","x250478","","10.1107/S241431462500478X","","","0.71073","MoKα","","0.0841","0.0602","","","0.1298","0.1467","","","","","","1.155","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574819","14.2323","0.0006","7.6198","0.0003","19.8463","0.0008","90","","90","","90","","2152.28","0.15","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","1","HB4520","Uppu, Rao M.; Fronczek, Frank R.","N-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide","IUCrData","2025","10","6","x250470","","10.1107/S2414314625004705","","","1.54184","CuKα","","0.0954","0.0534","","","0.1273","0.1364","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574928","9.5548","0.0002","10.702","0.0003","18.4654","0.0005","74.0508","0.001","86.9998","0.001","76.0888","0.0009","1762.06","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(α,α'-Bis[(<i>tert</i>-butyl)(6-methoxypyridin-2-yl)phosphino]-<i>o</i>-xylene}(η^2^-<i>N</i>-methylmaleinimide)palladium(0) toluene hemisolvate","","- C36.5 H47 N3 O4 P2 Pd -","- C36.5 H47 N3 O4 P2 Pd -","- C73 H94 N6 O8 P4 Pd2 -","2","1","HB4516","Müller, Stefan; Spannenberg, Anke; Neumann, Helfried; Franke, Robert; Beller, Matthias","{α,α′-Bis[(tert-butyl)(6-methoxypyridin-2-yl)phosphino]-o-xylene}(η2-N-methylmaleinimide)palladium(0) toluene hemisolvate","IUCrData","2025","10","6","x250508","","10.1107/S2414314625005085","","","1.54178","CuKα","","0.0231","0.0219","","","0.056","0.0568","","","","","","1.064","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574929","8.84082","0.00017","9.48683","0.00018","11.6797","0.0002","95.3496","0.0016","91.0661","0.0016","103.592","0.0017","947.18","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1<i>H</i>-pyrazole; 1-(triphenylmethyl)-3-(trifluoromethyl)-1<i>H</i>-pyrazole","","- C23 H16.36 Br0.64 F3 N2 -","- C23 H16.362 Br0.638 F3 N2 -","- C46 H32.724 Br1.276 F6 N4 -","2","1","HB4519","Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hamidov, Sahil Z.; Lasri, Jamal; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362)","IUCrData","2025","10","6","x250466","","10.1107/S2414314625004663","","","1.54184","CuKα","","0.0377","0.0371","","","0.0948","0.0952","","","","","","1.046","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574930","8.97833","0.00009","10.13609","0.00009","12.85096","0.00015","90","","110.357","0.0013","90","","1096.46","0.02","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Fluorophenyl)imidazo[1,2-<i>a</i>]pyridine-2-carbaldehyde","","- C14 H9 F N2 O -","- C14 H9 F N2 O -","- C56 H36 F4 N8 O4 -","4","1","HB4525","Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hamidov, Sahil Z.; Lasri, Jamal; Hasanov, Khudayar I.; Guliyeva, Narmina A.; Belay, Alebel N.","3-(4-Fluorophenyl)imidazo[1,2-a]pyridine-2-carbaldehyde","IUCrData","2025","10","6","x250553","","10.1107/S241431462500553X","","x-ray","1.54184","CuKα","","0.0363","0.0355","","","0.0954","0.0961","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574931","9.1504","0.0013","11.6521","0.0016","24.868","0.004","95.453","0.003","98.296","0.003","90.372","0.003","2611.3","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","(η^4^-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","(η^4^-2-Methylidenepropane-1,3-diyl)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","","- C53 H62 O6.5 P3 Ru -","- C53 H62 O6.5 P3 Ru -","- C106 H124 O13 P6 Ru2 -","2","1","HB4517","Stein, Carolin A. M.; Alberico, Elisabetta; Spannenberg, Anke; Beller, Matthias; Junge, Henrik","(η4-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","IUCrData","2025","10","6","x250524","","10.1107/S2414314625005243","","","0.71073","MoKα","","0.0382","0.0343","","","0.0819","0.0841","","","","","","1.099","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574932","17.0276","0.0003","17.0276","0.0003","21.6388","0.0005","90","","90","","120","","5433.39","0.18","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","Tris(2,2'-bipyridine)iron(II) tris(dicyanomethylidene)methanediide","","- C40 H24 Fe N12 -","- C40 H24 Fe N12 -","- C240 H144 Fe6 N72 -","6","0.333333","BT4174","Messalti, Said Abdelghafour; Setifi, Fatima; Böhme, Uwe; Setifi, Zouaoui; Al-Douh, Mohammad Hadi","Tris(2,2′-bipyridine)iron(II) tris(dicyanomethylidene)methanediide","IUCrData","2025","10","6","x250503","","10.1107/S2414314625005036","","","0.71073","MoKα","","0.0447","0.0329","","","0.0817","0.0913","","","","","","1.052","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574933","7.28265","0.0001","8.6472","0.00015","34.8789","0.0003","90","","90","","90","","2196.48","0.05","100","2","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-Tetra-<i>O</i>-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-<i>D</i>-galactopyranose","","- C17 H25 N O9 S2 -","- C17 H25 N O9 S2 -","- C68 H100 N4 O36 S8 -","4","1","BT4175","Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.","2,3,4,6-Tetra-O-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-D-galactopyranose","IUCrData","2025","10","6","x250544","","10.1107/S2414314625005449","","x-ray","0.71073","MoKα","","0.0333","0.0306","","","0.0813","0.0825","","","","","","1.119","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574934","10.944","0.003","11.234","0.003","11.377","0.003","90","","112.481","0.004","90","","1292.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","HB4522","Ponmagaram, Murugesan; Saranraj, Krishnan; Raja, Karuppiah Muruga Poopathi","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","IUCrData","2025","10","6","x250542","","10.1107/S2414314625005425","","","0.71073","MoKα","","0.0999","0.0497","","","0.103","0.1212","","","","","","1.009","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574935","11.519","0.0002","12.4798","0.0002","19.5537","0.0003","90","","90","","90","","2810.94","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-Diiodido{3,3'-methylenebis[1-(1-hydroxy-4-methylpentan-2-yl)imidazol-2-ylene]}palladium(II) ethanol monosolvate","","- C21 H38 I2 N4 O3 Pd -","- C21 H38 I2 N4 O3 Pd -","- C84 H152 I8 N16 O12 Pd4 -","4","1","ZL4080","Liao, Ping; Wang, Yanping; Zhong, Li; Yuan, Jinwei; Yang, Liangru","(S,S)-Diiodido{3,3′-methylenebis[1-(1-hydroxy-4-methylpentan-2-yl)imidazol-2-ylene]}palladium(II) ethanol monosolvate","IUCrData","2025","10","6","x250423","","10.1107/S2414314625004237","","x-ray","1.54184","CuKα","","0.0443","0.0402","","","0.0945","0.0988","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574936","7.7661","0.0002","8.1535","0.0003","13.3262","0.0005","93.392","0.003","102.488","0.003","95.435","0.003","817.4","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","5,5-Bis{<i>N</i>-(4-pyridyl)methylcarbamoyl}-2,2-bipyridine bis[hexafluoridophosphate(V)] acetonitrile disolvate","4,4'-{[(2,2'-Bipyridine)-5,5'-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate","","- C28 H28 F12 N8 O2 P2 -","- C28 H28 F11.9952 N8 O2 P2 -","- C28 H28 F11.9952 N8 O2 P2 -","1","0.5","ZL4084","Sueyoshi, Fumika; Sakai, Ken","4,4′-{[(2,2′-Bipyridine)-5,5′-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate","IUCrData","2025","10","6","x250517","","10.1107/S2414314625005176","","","0.71073","MoKα","","0.0642","0.0479","","","0.1137","0.1229","","","","","","1.09","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574954","7.2027","0.0003","22.1157","0.001","7.5534","0.0003","90","","105.517","0.003","90","","1159.35","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane","<i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane","","- C9 H12 Br2 Cl2 -","- C9 H12 Br2 Cl2 -","- C36 H48 Br8 Cl8 -","4","1","BT4172","Detert, Heiner; Schollmeyer, Dieter","rac-4,5-trans-Dibromo-9,9-dichloro-cis-bicyclo[6.1.0]nonane","IUCrData","2025","10","6","x250573","","10.1107/S2414314625005735","","","0.71073","MoKα","","0.0472","0.0404","","","0.0959","0.1001","","","","","","1.185","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574955","7.9541","0.0003","12.5763","0.0005","20.3351","0.0006","90","","90","","90","","2034.18","0.13","300","2","300.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium (2<i>E</i>)-3-carboxyprop-2-enoate","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C80 H112 N8 O20 -","4","1","HB4526","Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","4-Hydroxy-N,N-diisopropyltryptammonium hydrofumarate","IUCrData","2025","10","6","x250564","","10.1107/S2414314625005644","","","0.71073","MoKα","","0.0453","0.0391","","","0.0906","0.0945","","","","","","1.08","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574956","38.4331","0.0013","5.4083","0.0002","11.0637","0.0003","90","","93.566","0.003","90","","2295.22","0.13","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diaquabis(<i>DL</i>-α-lipoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Diaquabis[5-(1,2-dithiolan-3-yl)pentanoato-κ^2^<i>O</i>,<i>O</i>']manganese(II)","","- C16 H30 Mn O6 S4 -","- C16 H30 Mn O6 S4 -","- C64 H120 Mn4 O24 S16 -","4","0.5","BH4096","Jumabaev, Farkhod Raxmatovich; Sharipov, Avez Tuymuradovich; Mannopova, Vazirakhon Khasanxoja kizi; Choriyev, Odil Irgashevich; Ashurov, Jamshid Mengnorovich","Diaquabis(DL-α-lipoato-κ2 O,O′)manganese(II)","IUCrData","2025","10","6","x250565","","10.1107/S2414314625005656","","x-ray","1.54184","CuKα","","0.063","0.0513","","","0.1426","0.1535","","","","","","1.045","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574957","17.3191","0.0004","12.6547","0.0002","20.5387","0.0004","90","","103.772","0.002","90","","4372.01","0.15","295","1","295","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)","","- C36 H23 F12 N2 Nd O8 S4 -","- C36 H23 F12 N2 Nd O8 S4 -","- C144 H92 F48 N8 Nd4 O32 S16 -","4","0.5","WM4231","Bravo-Arredondo, José Manuel; Bernès, Sylvain; Mejía, Karen; Anzaldo, Bertin; Ramírez, Erick; Moro, David","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ2 O,O′)neodymium(III)","IUCrData","2025","10","6","x250569","","10.1107/S2414314625005693","","x-ray","0.56083","AgKα","","0.052","0.0402","","","0.1036","0.1126","","","","","","1.06","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""