# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-26T16:05:51+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 volume = 1 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",""
"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",""