# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-17T21:39:18+02:00
# 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 'Acta Crystallographica Section E Crystallographic Communications') AND volume = 75 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
"2021414","8.2311","0.0001","13.322","0.0002","22.7038","0.0003","90","","95.864","0.002","90","","2476.55","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-Dithiodibenzoic acid‒benzoic acid (1/2)","","- C28 H22 O8 S2 -","- C28 H22 O8 S2 -","- C112 H88 O32 S8 -","4","0.5","HB7790","Tan, Sang Loon; Tiekink, Edward R. T.","A 1:2 co-crystal of 2,2′-dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","1","","10.1107/S2056989018017097","","x-ray","1.54184","CuKα","","0.0401","0.0392","","","0.1082","0.1091","","","","","","1.082","","","","has coordinates,has Fobs","212550","2020-10-21","18:00:00",""
"2021424","18.3264","0.0003","13.6459","0.0002","19.301","0.0004","90","","101.803","0.001","90","","4724.74","0.14","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloridocyanidohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,3λ^5^,5λ^4^,7-tetraphospha-κ^2^P^1^,P^7^-hept-3-en-4-yl)iridium(III) acetonitrile monosolvate","","- C54 H48 Cl Ir N2 P4 -","- C54 H48 Cl Ir N2 P4 -","- C216 H192 Cl4 Ir4 N8 P16 -","4","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.0671","0.0399","","","0.0643","0.069","","","","","","1.028","","","","has coordinates,has Fobs","212654","2020-10-21","18:00:00",""
"2021425","28.1283","0.0003","19.0989","0.0002","23.6339","0.0002","90","","90","","90","","12696.6","0.2","233","2","233","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[7-(4-Chlorophenyl)-1,1,3,3-tetraphenyl-5,6,7-triaza-κN^7^-1,3λ^4^-diphospha-κP^1^-hepta-4,6-dien-4-yl][methylenebis(diphenylphosphine)-κ^2^P,P']iridium(I) chloride‒dichloromethane‒toluene (2/3/1)","","- C62 H55 Cl5 Ir N3 P4 -","- C62 H55 Cl5 Ir N3 P4 -","- C496 H440 Cl40 Ir8 N24 P32 -","8","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.0561","0.0423","","","0.1169","0.1264","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","212654","2020-10-21","18:00:00",""
"2021426","11.1683","0.0001","12.7805","0.0002","20.0591","0.0003","98.475","0.001","93.122","0.001","109.336","0.001","2655.76","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","{4-[3-(4-Chlorophenyl)triazenido-κN^3^]-1,1,3,3-tetraphenyl-1,3λ^5^-diphospha-κP^1^-but-2-en-4-yl}cyanido[methylenebis(diphenylphosphine)-κ^2^P,P']iridium(III) methanol disolvate","","- C60 H56 Cl Ir N4 O2 P4 -","- C60 H56 Cl Ir N4 O2 P4 -","- C120 H112 Cl2 Ir2 N8 O4 P8 -","2","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.025","0.0228","","","0.0546","0.0556","","","","","","1.054","","","","has coordinates,has Fobs","212654","2020-10-21","18:00:00",""
"2021433","19.173","0.001","20.756","0.001","21.771","0.002","90","","110.718","0.002","90","","8103.6","0.9","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,8,14,20-Tetrahexyl-4,24:6,10:12,16:18,22-O,O'-tetrakis[2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7,8-diyl]resorcin[4]arene benzene monosolvate","","- C98 H94 N8 O16 -","- C98 H94 N8 O16 -","- C392 H376 N32 O64 -","4","0.5","HB7791","Pinalli, Roberta; Trzciński, Jakub W.; Dalcanale, Enrico; Massera, Chiara","A new, deep quinoxaline-based cavitand receptor for the complexation of benzene","Acta Crystallographica Section E Crystallographic Communications","2019","75","2","103","","10.1107/S2056989018017784","","","0.71073","MoKα","","0.069","0.0463","","","0.1075","0.1191","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","213111","2020-10-21","18:00:00",""
"2021536","9.8778","0.0011","12.872","0.0016","14.8025","0.0018","69.092","0.004","74.786","0.004","70.324","0.004","1633.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ-Oxalato)bis{[N,N'-bis(2-oxidobenzyl-κO)-N,N'-bis(pyridin-2-ylmethyl-κN)ethylenediamine-κ^2^N,N']gadolinium(III)}‒methanol‒water (1/4/4)","","- C62 H80 Gd2 N8 O16 -","- C60 H68 Gd2 N8 O12 -","- C60 H68 Gd2 N8 O12 -","1","0.5","WM5489","Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes","Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−)","Acta Crystallographica Section E Crystallographic Communications","2019","75","4","418","","10.1107/S2056989019002998","","","0.71073","MoKα","","0.0252","0.0199","","","0.0449","0.0464","","","","","","1.073","","","","has coordinates,has Fobs","214086","2020-10-21","18:00:00",""
"2021537","9.883","0.002","12.838","0.003","14.832","0.004","68.213","0.009","74.653","0.008","70.552","0.008","1626.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ-Oxalato)bis{[N,N'-bis(2-oxidobenzyl-κO)-N,N'-bis(pyridin-2-ylmethyl-κN)ethylenediamine-κ^2^N,N']dysprosium(III)}‒methanol‒water (1/4/4)","","- C62 H80 Dy2 N8 O16 -","- C60 H68 Dy2 N8 O12 -","- C60 H68 Dy2 N8 O12 -","1","0.5","","Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes","Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−)","Acta Crystallographica Section E Crystallographic Communications","2019","75","4","418","","10.1107/S2056989019002998","","","0.71073","MoKα","","0.0313","0.0246","","","0.0577","0.0596","","","","","","1.06","","","","has coordinates,has Fobs","214086","2020-10-21","18:00:00",""
"2021560","6.3503","0.0004","14.9583","0.0009","12.3127","0.0009","90","","97.149","0.003","90","","1160.49","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I)","","- C8 H3 F2 Mn O6 S -","- C8 H3 F2 Mn O6 S -","- C32 H12 F8 Mn4 O24 S4 -","4","1","SU5491","Daran, Jean-Claude; Morales-Cerrada, Roberto; Fliedel, Christophe; Gayet, Florence; Ladmiral, Vincent; Ameduri, Bruno; Poli, Rinaldo","Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I)","Acta Crystallographica Section E Crystallographic Communications","2019","75","5","529","","10.1107/S2056989019004134","","","0.71073","MoKα","","0.0291","0.0232","","","0.0587","0.0619","","","","","","1.041","","","","has coordinates,has disorder","214469","2020-10-21","18:00:00",""
"2021615","14.358","0.006","17.333","0.007","38.902","0.019","90","","90","","90","","9681","7","296","2","296.15","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Dibutyl 5,5'-(pentane-3,3-diyl)bis(1H-pyrrole-5-carboxylate)","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C368 H544 N32 O64 -","16","","FF2158","Wang, Haijing; Yin, Zhenming","Crystal structure and Hirshfeld surface analysis of dibutyl 5,5′-(pentane-3,3-diyl)bis(1H-pyrrole-5-carboxylate)","Acta Crystallographica Section E Crystallographic Communications","2019","75","6","711","","10.1107/S205698901900567X","","","0.71073","MoKα","","0.1056","0.0806","","","0.2339","0.2782","","","","","","1.048","","","","has coordinates,has Fobs","214937","2020-10-21","18:00:00",""
"2021657","8.317","0.002","12.657","0.002","16.763","0.003","90","","90","","90","","1764.6","0.6","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(Diphenylphosphoryl)-2-methoxybenzamide","","- C20 H18 N O3 P -","- C20 H18 N O3 P -","- C80 H72 N4 O12 P4 -","4","1","LH5904","Trush, Victor A.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M.","Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide","Acta Crystallographica Section E Crystallographic Communications","2019","75","7","939","","10.1107/S205698901900762X","","x-ray","0.71073","MoKα","","0.0614","0.0434","","","0.1046","0.1129","","","","","","1.11","","","","has coordinates,has Fobs","215710","2020-10-21","18:00:00",""
"2021694","15.737","0.008","8.526","0.004","7.761","0.004","90","","100.45","0.02","90","","1024","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium chloride","","- C8 H6 Cl F3 N2 O S -","- C8 H6 Cl F3 N2 O S -","- C32 H24 Cl4 F12 N8 O4 S4 -","4","1","XI2017","Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak","Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride","Acta Crystallographica Section E Crystallographic Communications","2019","75","8","1084","","10.1107/S2056989019009022","","","0.71073","MoKα","","0.1174","0.0623","","","0.1307","0.1568","","","","","","1.075","","","","has coordinates,has Fobs","216703","2020-10-21","18:00:00",""
"2021695","8.0824","0.0019","11.788","0.003","19.745","0.005","78.449","0.009","84.378","0.008","89.318","0.009","1834.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","6-(Trifluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H5 F3 N2 O S -","- C8 H5 F3 N2 O S -","- C64 H40 F24 N16 O8 S8 -","8","4","","Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak","Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride","Acta Crystallographica Section E Crystallographic Communications","2019","75","8","1084","","10.1107/S2056989019009022","","","0.71073","MoKα","","0.1022","0.0564","","","0.113","0.1299","","","","","","1.025","","","","has coordinates,has Fobs","216703","2020-10-21","18:00:00",""
"2021760","7.3009","0.0008","11.0552","0.0011","30.006","0.003","90","","90","","90","","2421.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-2-[(3R,4S)-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol","","- C30 H29 N O -","- C30 H29 N O -","- C120 H116 N4 O4 -","4","1","FF2162","Ben Ali, Karim; Retailleau, Pascal","Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol","Acta Crystallographica Section E Crystallographic Communications","2019","75","10","1399","","10.1107/S2056989019011964","","","0.71073","MoKα","","0.0443","0.0379","","","0.0791","0.0828","","","","","","1.072","","","","has coordinates,has Fobs","217959","2020-10-21","18:00:00",""
"2021794","9.9966","0.0012","9.9966","0.0012","7.9461","0.001","90","","90","","120","","687.68","0.15","120","2","120","2","","","","","","","","3","P 63 c m","P 6c -2","185","","2,4,6-Tricyclobutyl-1,3,5-trioxane","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","0.166667","KQ2025","Shorunov, Sergey V.; Bermeshev, Maxim V.; Demchuk, Dmitry V.; Nelyubina, Yulia V.","Synthesis and structure of 2,4,6-tricyclobutyl-1,3,5-trioxane","Acta Crystallographica Section E Crystallographic Communications","2019","75","11","1578","","10.1107/S205698901900896X","","","0.71073","MoKα","","0.0417","0.0406","","","0.107","0.1083","","","","","","1.026","","","","has coordinates","219178","2020-10-21","18:00:00",""
"2242776","7.6152","0.0003","15.5513","0.0006","7.5891","0.0003","90","","115.883","0.0018","90","","808.59","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","ZP2031","Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias","The crystal structures of four dimethoxybenzaldehyde isomers","Acta Crystallographica Section E","2019","75","1","38","42","10.1107/S2056989018017152","","","0.71073","MoKα","","0.0617","0.0428","","","0.1185","0.1298","","","","","","1.024","","","","has coordinates,has Fobs","212546","2020-10-21","18:00:00",""
"2242777","15.1575","0.0008","3.9638","0.0002","14.6181","0.0008","90","","113.839","0.0019","90","","803.35","0.07","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias","The crystal structures of four dimethoxybenzaldehyde isomers","Acta Crystallographica Section E","2019","75","1","38","42","10.1107/S2056989018017152","","","0.71073","MoKα","","0.0442","0.0392","","","0.1123","0.1174","","","","","","1.029","","","","has coordinates,has Fobs","212546","2020-10-21","18:00:00",""
"2242778","3.878","0.0003","11.5513","0.0007","17.8153","0.0012","90","","91.808","0.002","90","","797.66","0.1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias","The crystal structures of four dimethoxybenzaldehyde isomers","Acta Crystallographica Section E","2019","75","1","38","42","10.1107/S2056989018017152","","","0.71073","MoKα","","0.0483","0.039","","","0.113","0.1237","","","","","","1.019","","","","has coordinates,has Fobs","212546","2020-10-21","18:00:00",""
"2242779","11.7602","0.0005","13.8957","0.0006","11.4352","0.0005","90","","118.642","0.002","90","","1640.03","0.13","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias","The crystal structures of four dimethoxybenzaldehyde isomers","Acta Crystallographica Section E","2019","75","1","38","42","10.1107/S2056989018017152","","","0.71073","MoKα","","0.0531","0.042","","","0.116","0.1255","","","","","","1.049","","","","has coordinates,has Fobs","212546","2020-10-21","18:00:00",""
"2242780","12.1783","0.0006","5.7217","0.0003","14.8258","0.0007","90","","95.74","0.001","90","","1027.89","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Dichloromethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one","","- C10 H8 Cl2 N2 O -","- C10 H8 Cl2 N2 O -","- C40 H32 Cl8 N8 O4 -","4","1","XU5953","Chkirate, Karim; Kansiz, Sevgi; Karrouchi, Khalid; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of a new benzodiazepine derivative: 4-dichloromethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one","Acta Crystallographica Section E","2019","75","1","33","37","10.1107/S205698901801681X","","","1.54178","CuKα","","0.0285","0.0282","","","0.0735","0.0737","","","","","","1.045","","","","has coordinates,has Fobs","212547","2020-10-21","18:00:00",""
"2242781","3.8018","0.0004","15.6027","0.0016","11.9755","0.0012","90","","90.889","0.002","90","","710.28","0.13","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methoxybenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","HB7789","Chia, Tze Shyang; Kwong, Huey Chong; Wong, Qin Ai; Quah, Ching Kheng; Arafath, Md. Azharul","Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z' = 1","Acta Crystallographica Section E","2019","75","1","8","11","10.1107/S2056989018016900","","","0.71073","MoKα","","0.0508","0.0383","","","0.1049","0.1132","","","","","","1.036","","","","has coordinates,has Fobs","212548","2020-10-21","18:00:00",""
"2242782","44.4837","0.0012","4.7293","0.0001","18.3432","0.0005","90","","106.965","0.002","90","","3691.05","0.17","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(1-decyl-2-oxoindolin-3-ylidene)propanedinitrile","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C168 H200 N24 O8 -","8","1","VM2214","Rayni, Ibtissam; El Bakri, Youness; Lai, Chin-Hung; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.","Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 2-(1-decyl-2-oxoindolin-3-ylidene)propanedinitrile","Acta Crystallographica Section E","2019","75","1","21","25","10.1107/S2056989018017267","","","1.54178","CuKα","","0.0714","0.0505","","","0.1225","0.1343","","","","","","1.049","","","","has coordinates,has Fobs","212549","2020-10-21","18:00:00",""
"2242783","18.7368","0.0015","6.8399","0.0006","18.5652","0.0015","90","","90","","90","","2379.3","0.3","297","2","297","2","","","","","","","","3","C m c m","-C 2c 2","63","","Dicalcium octaoxidotritellurate(IV)","","- Ca2 O8 Te3 -","- Ca2 O8 Te3 -","- Ca24 O96 Te36 -","12","0.75","","Weil, Matthias","Ca~2~Te~3~O~8~, a new phase in the CaO‒TeO~2~ system","Acta Crystallographica Section E","2019","75","1","26","29","10.1107/S2056989018017310","","","0.71073","MoKα","","0.0298","0.0228","","","0.042","0.0433","","","","","","1.115","","","","has coordinates,has Fobs","212551","2020-10-21","18:00:00",""
"2242784","3.5342","0.0002","3.9822","0.0003","12.8414","0.0008","90","","90","","90","","180.73","0.02","296","2","296","2","","","","","","","","3","I m m m","-I 2 2","71","","Distrontium palladium trioxide","","- O3 Pd Sr2 -","- O3 Pd Sr2 -","- O6 Pd2 Sr4 -","2","0.125","WM5474","Thakur, Gohil S.; Reuter, Hans; Felser, Claudia; Jansen, Martin","Redetermination of Sr~2~PdO~3~ from single-crystal X-ray data","Acta Crystallographica Section E","2019","75","1","30","32","10.1107/S2056989018017176","","","0.71073","MoKα","","0.009","0.009","","","0.0212","0.0212","","","","","","1.274","","","","has coordinates,has Fobs","212552","2020-10-21","18:00:00",""
"2242785","3.886","0.0005","13.2324","0.0016","24.199","0.003","90","","91.963","0.002","90","","1243.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C15 H10 F N O3 -","- C15 H10 F N O3 -","- C60 H40 F4 N4 O12 -","4","1","IS5506","Wong, Qin Ai; Chia, Tze Shyang; Kwong, Huey Chong; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul","Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","1","53","57","10.1107/S2056989018017450","","","0.71073","MoKα","","0.0541","0.0425","","","0.1247","0.1375","","","","","","1.039","","","","has coordinates,has Fobs","212634","2020-10-21","18:00:00",""
"2242786","14.0947","0.0003","14.0947","0.0003","18.0603","0.0005","90","","90","","120","","3107.19","0.13","296","","296","","","","","","","","","4","R -3","-R 3","148","","Poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate]","","- C18 H54 Er2 O36 -","- C18 H54 Er2 O36 -","- C54 H162 Er6 O108 -","3","","HB7788","Ponjan, Nutcha; Kodchasanthong, Kenika; Jiajaroen, Suwadee; Chainok, Kittipong","Crystal structure of poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate]","Acta Crystallographica Section E","2019","75","1","64","67","10.1107/S2056989018017516","","x-ray","0.71073","MoKα","","0.0372","0.023","","","0.0362","0.0416","","","","","","1.082","","","","has coordinates,has Fobs","212635","2020-10-21","18:00:00",""
"2242787","7.6218","0.0005","8.5238","0.0005","11.1093","0.0007","95.739","0.003","98.88","0.003","94.979","0.003","705.66","0.08","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","4-Allyl-6-bromo-2-(4-chlorophenyl)-4H-imidazo[4,5-b]pyridine","","- C15 H11 Br Cl N3 -","- C15 H11 Br Cl N3 -","- C30 H22 Br2 Cl2 N6 -","2","1","IS5505","Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Haoudi, Amal; Renard, Catherine; Capet, Frédéric","Crystal structure and Hirshfeld surface analysis of 4-allyl-6-bromo-2-(4-chlorophenyl)-4H-imidazo[4,5-b]pyridine","Acta Crystallographica Section E","2019","75","1","43","48","10.1107/S2056989018017322","","","0.71073","MoKα","","0.0535","0.0353","","","0.0821","0.089","","","","","","1.025","","","","has coordinates,has Fobs","212636","2020-10-21","18:00:00",""
"2242788","6.009","0.0004","10.8695","0.0007","20.5616","0.0012","102.803","0.001","96.938","0.001","97.276","0.001","1283.57","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(4-Bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C60 H40 Br4 F4 O4 -","4","2","RZ5249","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Anis, Mohamad Zahid; Arshad, Suhana","Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","1","58","63","10.1107/S2056989018017371","","","0.71073","MoKα","","0.0747","0.0477","","","0.1417","0.1581","","","","","","1.043","","","","has coordinates,has Fobs","212637","2020-10-21","18:00:00",""
"2242789","26.296","0.005","7.9996","0.0015","16.987","0.004","90","","129.165","0.01","90","","2770.5","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-Methylenebis(isoindoline-1,3-dione)","","- C17 H10 N2 O4 -","- C17 H10 N2 O4 -","- C136 H80 N16 O32 -","8","1","JJ2205","Chia, Tze Shyang; Kwong, Huey Chong; Sim, Ai Jia; Ng, Weng Zhun; Wong, Qin Ai; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul","Conformational dimorphism of 2,2'-methylenebis(isoindoline-1,3-dione)","Acta Crystallographica Section E","2019","75","1","49","52","10.1107/S2056989018017425","","","0.71073","MoKα","","0.1471","0.0632","","","0.1226","0.1581","","","","","","1.021","","","","has coordinates,has Fobs","212638","2020-10-21","18:00:00",""
"2242790","10.4324","0.0012","16.5656","0.0019","14.0448","0.0017","90","","100.707","0.003","90","","2385","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(RS)-4-(3-Carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate","","- C25 H24 F3 N3 O7 -","- C25 H24 F3 N3 O7 -","- C100 H96 F12 N12 O28 -","4","1","WM5472","Feng, Sheng; Zhu, Gui-Liang; Sun, Jia-Jia; Chen, Chen; Zhang, Zhi-Hui","Crystal structure of (RS)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate","Acta Crystallographica Section E","2019","75","1","68","70","10.1107/S2056989018016961","","","0.71073","MoKα","","0.0831","0.0541","","","0.1417","0.1612","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","212639","2020-10-21","18:00:00",""
"2242791","5.4603","0.0001","12.7845","0.0003","15.6474","0.0004","90","","97.281","0.002","90","","1083.49","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,6-Bis(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","FF2157","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin","Crystal structure of 3,6-bis(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2019","75","1","86","88","10.1107/S205698901801753X","","","1.54184","CuKα","","0.0419","0.0354","","","0.091","0.0953","","","","","","1.122","","","","has coordinates,has Fobs","212652","2020-10-21","18:00:00",""
"2242792","16.3393","0.0018","13.4977","0.0019","9.7461","0.0011","90","","113.442","0.008","90","","1972","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-[Ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide)","","- C16 H20 N2 O6 S2 -","- C16 H20 N2 O6 S2 -","- C64 H80 N8 O24 S8 -","4","0.5","XU5951","Meral, Seher; Kansiz, Sevgi; Dege, Necmi; Alaman Agar, Aysen; Tsapyuk, Galyna G.","Crystal structure and Hirshfeld surface analysis of N,N'-[ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide)","Acta Crystallographica Section E","2019","75","1","81","85","10.1107/S2056989018017437","","","0.71073","MoKα","","0.0962","0.0472","","","0.1003","0.1157","","","","","","0.903","","","","has coordinates,has Fobs","212653","2020-10-21","18:00:00",""
"2242793","10.509","0.009","7.435","0.006","21.367","0.016","90","","103.041","0.015","90","","1626","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydro-2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-pyridin-4-yl)-1,5-benzodiazepine","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","1","LH5888","El Ghayati, Lhoussaine; Ramli, Youssef; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-pyridin-4-yl)-1,5-benzodiazepine","Acta Crystallographica Section E","2019","75","1","94","98","10.1107/S2056989018017565","","","0.71073","MoKα","","0.0577","0.0478","","","0.1301","0.1347","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","212655","2020-10-21","18:00:00",""
"2242794","7.8595","0.0004","11.8831","0.0007","15.5716","0.0009","90","","101.853","0.001","90","","1423.3","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(5-Nitro-1H-indazol-1-yl)methyl]-3-phenyl-4,5-dihydroisoxazole","","- C17 H14 N4 O3 -","- C17 H14 N4 O3 -","- C68 H56 N16 O12 -","4","1","DX2013","Boulhaoua, Mohammed; Kansiz, Sevgi; El Hafi, Mohamed; Lahmidi, Sanae; Dege, Necmi; Benchidmi, Mohammed; Mague, Joel T.","Crystal structure and Hirshfeld surface analysis of 5-[(5-nitro-1H-indazol-1-yl)methyl]-3-phenyl-4,5-dihydroisoxazole","Acta Crystallographica Section E","2019","75","1","71","74","10.1107/S2056989018017590","","","0.71073","MoKα","","0.0496","0.0414","","","0.1161","0.1198","","","","","","1.049","","","","has coordinates,has Fobs","212656","2020-10-21","18:00:00",""
"2242795","5.25147","0.00012","14.1093","0.0003","17.769","0.0003","90","","92.0296","0.0018","90","","1315.76","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-bis(thien-2-yl)pyrido[2,3-b]pyrazine","2,3-Bis(thiophen-2-yl)pyrido[2,3-b]pyrazine","","- C15 H9 N3 S2 -","- C15 H9 N3 S2 -","- C60 H36 N12 S8 -","4","1","","Popek, Rafal; Crundwell, Guy","Crystal structures of 2,3-bis(thiophen-2-yl)pyrido[2,3-b]pyrazine and 7-bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-b]pyrazine","Acta Crystallographica Section E","2019","75","1","89","93","10.1107/S2056989018016882","","","0.71073","MoKα","","0.0669","0.0481","","","0.1336","0.1482","","","","","","1.011","","","","has coordinates,has Fobs","212657","2020-10-21","18:00:00",""
"2242796","5.8336","0.0002","29.4731","0.001","8.316","0.0003","90","","95.466","0.003","90","","1423.3","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-bromo-2,3-bis(thien-2-yl)pyrido[2,3-b]pyrazine","7-Bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-b]pyrazine","","- C15 H8 Br N3 S2 -","- C15 H8 Br N3 S2 -","- C60 H32 Br4 N12 S8 -","4","1","","Popek, Rafal; Crundwell, Guy","Crystal structures of 2,3-bis(thiophen-2-yl)pyrido[2,3-b]pyrazine and 7-bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-b]pyrazine","Acta Crystallographica Section E","2019","75","1","89","93","10.1107/S2056989018016882","","","0.71073","MoKα","","0.0596","0.0425","","","0.1026","0.11","","","","","","1.079","","","","has coordinates,has Fobs","212657","2020-10-21","18:00:00",""
"2242797","12.8487","0.0005","10.8187","0.0004","11.8469","0.0005","90","","112.248","0.001","90","","1524.2","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-adamantylamine-1,2-naphthoquinone","4-[(Adamantan-1-yl)amino]naphthalene-1,2-dione","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","RZ5250","Lamoureux, Guy; Alvarado-Rojas, Mónica; Pineda, Leslie W.","Crystal structure of 4-[(adamantan-1-yl)amino]naphthalene-1,2-dione","Acta Crystallographica Section E","2019","75","1","99","102","10.1107/S2056989018017917","","","0.71073","MoKα","","0.0956","0.0555","","","0.1067","0.1212","","","","","","1.054","","","","has coordinates,has Fobs","212754","2020-10-21","18:00:00",""
"2242798","22.335","0.004","10.9454","0.0017","18.721","0.003","90","","110.691","0.005","90","","4281.4","1.2","162","2","162","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)","","- C48 H34 Co N14 O2 -","- C48 H34 Co N14 O2 -","- C192 H136 Co4 N56 O8 -","4","0.5","","Benabdallah, Jamila; Setifi, Zouaoui; Setifi, Fatima; Boughzala, Habib; Titi, Abderrahim","Crystal structure of tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)","Acta Crystallographica Section E","2019","75","2","142","145","10.1107/S2056989018018261","","","0.71073","MoKα","","0.132","0.0545","","","0.0943","0.1087","","","","","","0.963","","","","has coordinates,has Fobs","213097","2020-10-21","18:00:00",""
"2242799","13.6092","0.0003","21.588","0.0007","26.5297","0.0007","90","","90","","90","","7794.3","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ethanol-κO)bis(nitrato-κ^2^O,O'){μ-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^N,N',O,O':κ^2^O,O'}{2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^O,N,N',O'}discandium","","- C42 H34 N6 O11 Sc2 -","- C42 H34 N6 O11 Sc2 -","- C336 H272 N48 O88 Sc16 -","8","1","ZL2746","Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","An unsymmetrical dinuclear scandium complex comprising salophen ligands [H~2~salophen = N,N'-bis(salicylidene)-1,2-phenylenediamine]","Acta Crystallographica Section E","2019","75","2","175","178","10.1107/S2056989019000094","","","0.71073","MoKα","","0.071","0.0451","","","0.09","0.0984","","","","","","1.036","","","","has coordinates,has Fobs","213098","2020-10-21","18:00:00",""
"2242800","25.913","0.002","5.9021","0.0005","19.0842","0.0016","90","","114.692","0.003","90","","2651.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Benzylammonium phenylacetate","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","1","VM2215","Hess, David; Mayer, Peter","The crystal structures of benzylammonium phenylacetate and its hydrate","Acta Crystallographica Section E","2019","75","2","194","201","10.1107/S2056989019000288","","","0.71073","MoKα","","0.0661","0.0431","","","0.0937","0.1031","","","","","","1.033","","","","has coordinates,has Fobs","213101","2020-10-21","18:00:00",""
"2242801","6.8235","0.0007","7.8766","0.0007","26.364","0.002","90","","93.218","0.003","90","","1414.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzylammonium phenylacetate","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Hess, David; Mayer, Peter","The crystal structures of benzylammonium phenylacetate and its hydrate","Acta Crystallographica Section E","2019","75","2","194","201","10.1107/S2056989019000288","","","0.71073","MoKα","","0.0877","0.0753","","","0.1655","0.1702","","","","","","1.246","","","","has coordinates,has Fobs","213101","2020-10-21","18:00:00",""
"2242802","5.8613","0.0009","5.018","0.0006","18.278","0.003","90","","98.303","0.013","90","","531.96","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1,3-Thiazole-2-carboxylato-κN)(1,3-thiazole-2-carboxylic acid-κN)silver(I)","","- C8 H5 Ag N2 O4 S2 -","- C8 H5 Ag N2 O4 S2 -","- C16 H10 Ag2 N4 O8 S4 -","2","0.5","NK2248","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Crystal structure of (1,3-thiazole-2-carboxylato-κN)(1,3-thiazole-2-carboxylic acid-κN)silver(I)","Acta Crystallographica Section E","2019","75","2","185","188","10.1107/S2056989019000124","","","0.71073","MoKα","","0.0304","0.0198","","","0.0418","0.0437","","","","","","0.899","","","","has coordinates,has Fobs","213102","2020-10-21","18:00:00",""
"2242803","12.2358","0.0016","10.3185","0.0014","14.231","0.0019","90","","111.199","0.002","90","","1675.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(1,3-Benzodioxol-5-yl)methyl]-4-(3-fluorobenzoyl)piperazine","","- C19 H19 F N2 O3 -","- C19 H19 F N2 O3 -","- C76 H76 F4 N8 O12 -","4","1","ZL2747","Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions","Acta Crystallographica Section E","2019","75","2","202","207","10.1107/S2056989019000458","","","0.71073","MoKα","","0.0502","0.0397","","","0.1084","0.1141","","","","","","1.096","","","","has coordinates,has Fobs","213103","2020-10-21","18:00:00",""
"2242804","14.2762","0.0009","15.9821","0.001","7.3753","0.0005","90","","90","","90","","1682.78","0.19","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-[(1,3-Benzodioxol-5-yl)methyl]-4-(2,6-difluorobenzoyl)piperazine","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C76 H72 F8 N8 O12 -","4","1","ZL2747","Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions","Acta Crystallographica Section E","2019","75","2","202","207","10.1107/S2056989019000458","","","0.71073","MoKα","","0.056","0.0535","","","0.1526","0.155","","","","","","1.161","","","","has coordinates,has Fobs","213103","2020-10-21","18:00:00",""
"2242805","12.2889","0.0014","12.3034","0.0014","13.3667","0.0015","90","","116.295","0.001","90","","1811.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(1,3-Benzodioxol-5-yl)methyl]-4-(2,4-dichlorobenzoyl)piperazine","","- C19 H18 Cl2 N2 O3 -","- C19 H18 Cl2 N2 O3 -","- C76 H72 Cl8 N8 O12 -","4","1","ZL2747","Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions","Acta Crystallographica Section E","2019","75","2","202","207","10.1107/S2056989019000458","","","0.71073","MoKα","","0.0363","0.0312","","","0.0836","0.0869","","","","","","1.042","","","","has coordinates,has Fobs","213103","2020-10-21","18:00:00",""
"2242806","5.9255","0.0006","7.5867","0.0008","14.1427","0.0015","89.774","0.002","82.671","0.002","87.712","0.002","630.09","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(2E)-1-(3-Bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C30 H20 Br2 F2 O2 -","2","1","XU5955","Atioğlu, Zeliha; Bindya, S.; Akkurt, Mehmet; Chidan Kumar, C. S.","Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","2","146","149","10.1107/S2056989018018418","","","0.71073","MoKα","","0.0455","0.0384","","","0.1004","0.1046","","","","","","1.097","","","","has coordinates,has Fobs","213104","2020-10-21","18:00:00",""
"2242807","3.9017","0.0006","22.038","0.003","15.127","0.002","90","","96.998","0.003","90","","1291","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(2-chlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H7 Cl3 O S -","- C13 H7 Cl3 O S -","- C52 H28 Cl12 O4 S4 -","4","1","QM2131","Murthy, T. N. Sanjeeva; Atioğlu, Zeliha; Akkurt, Mehmet; Veeraiah, M. K.; Quah, Ching Kheng; Chidan Kumar, C. S.; Siddaraju, B. P.","Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","2","124","128","10.1107/S2056989018018066","","","0.71073","MoKα","","0.057","0.0382","","","0.0896","0.099","","","","","","1.082","","","","has coordinates,has Fobs","213105","2020-10-21","18:00:00",""
"2242808","11.8222","0.0007","14.7535","0.0009","19.5055","0.0012","68.396","0.003","78.555","0.003","87.302","0.003","3099","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","7'-(4-Chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'H,3'H,5''H-dispiro[indoline-3,5'-pyrrolo[1,2-c]thiazole-6',6''-quinoline]-2,5''-dione","","- C34 H28 Cl N3 O3 S -","- C34 H28 Cl N3 O3 S -","- C136 H112 Cl4 N12 O12 S4 -","4","2","SU5469","Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 7'-(4-chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'H,3'H,5''H-dispiro[indoline-3,5'-pyrrolo[1,2-c]thiazole-6',6''-quinoline]-2,5''-dione and an unknown solvent","Acta Crystallographica Section E","2019","75","2","189","193","10.1107/S2056989019000112","","","0.71073","MoKα","","0.1128","0.0579","","","0.1405","0.1711","","","","","","1.011","","","","has coordinates,has Fobs","213106","2020-10-21","18:00:00",""
"2242809","14.7269","0.0005","6.7024","0.0003","11.7607","0.0004","90","","90","","90","","1160.85","0.08","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","1'-Aminocobaltocenium-1-carboxylic acid chloride monohydrate","","- C11 H13 Cl Co N O3 -","- C11 H13 Cl Co N O3 -","- C44 H52 Cl4 Co4 N4 O12 -","4","1","WM5478","Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate","Acta Crystallographica Section E","2019","75","2","208","213","10.1107/S2056989019000562","","","0.71073","MoKα","","0.0206","0.0195","","","0.0455","0.0459","","","","","","1.077","","","","has coordinates,has Fobs","213107","2020-10-21","18:00:00",""
"2242810","7.9891","0.0004","9.431","0.0005","15.5425","0.0008","74.415","0.003","78.183","0.002","73.798","0.002","1072.48","0.1","191","2","191","2","","","","","","","","7","P -1","-P 1","2","","1'-[2-(1-Amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate","","- C19 H21 Co F6 N3 O3 P -","- C19 H21 Co F6 N3 O3 P -","- C38 H42 Co2 F12 N6 O6 P2 -","2","1","WM5478","Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate","Acta Crystallographica Section E","2019","75","2","208","213","10.1107/S2056989019000562","","","0.71073","MoKα","","0.0484","0.0351","","","0.0791","0.0855","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","213107","2020-10-21","18:00:00",""
"2242811","9.5959","0.0003","9.6218","0.0003","5.6735","0.0002","90","","90","","90","","523.83","0.03","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithium zirconium octafluoride","Tetralithium octafluoridozirconate(IV)","","- F8 Li4 Zr -","- F8 Li4 Zr -","- F32 Li16 Zr4 -","4","0.5","WM5477","Chemey, Alexander T.; Albrecht-Schmitt, Thomas E.","Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li~4~ZrF~8~, from single-crystal X-ray data","Acta Crystallographica Section E","2019","75","2","139","141","10.1107/S2056989018018194","","","0.71073","MoKα","","0.0392","0.0289","","","0.0688","0.0733","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","213108","2020-10-21","18:00:00",""
"2242812","10.5375","0.0002","10.8479","0.0002","16.8936","0.0003","82.261","0.002","88.543","0.001","84.93","0.002","1905.85","0.06","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","(1E,1'E)-1,1'-(Pyridine-2,6-diyl)bis[N-(4-chlorophenyl)ethan-1-imine]","","- C21 H17 Cl2 N3 -","- C21 H17 Cl2 N3 -","- C84 H68 Cl8 N12 -","4","2","","Rajesh, Rajagopal; Sella, E. S.; Blacque, Olivier; Rajesh, Kunjanpillai","Crystal structure of a new 2,6-bis(imino)pyridine derivative: (1E,1'E)-1,1'-(pyridine-2,6-diyl)bis[N-(4-chlorophenyl)ethan-1-imine]","Acta Crystallographica Section E","2019","75","2","115","118","10.1107/S2056989018017966","","x-ray","0.71073","MoKα","","0.0457","0.0387","","","0.1068","0.1109","","","","","","1.059","","","","has coordinates,has Fobs","213109","2020-10-21","18:00:00",""
"2242813","11.8027","0.0007","13.2843","0.0008","19.0835","0.001","90","","90","","90","","2992.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pulcherrimin C monohydrate","5,6-Bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-carboxylic acid monohydrate","","- C34 H38 O9 -","- C34 H38 O9 -","- C136 H152 O36 -","4","1","","Kumar, Rajesh; Ogbeide, K. Osahon; Mujeeb-Ur-Rehman; Owolabi, Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure, Hirshfeld surface analysis and electrostatic potential study of naturally occurring cassane-type diterpenoid Pulcherrimin C monohydrate at 100K","Acta Crystallographica Section E","2019","75","2","119","123","10.1107/S2056989018017498","","","1.54178","CuKα","","0.0469","0.0398","","","0.0947","0.0983","","","","","","1.03","","","","has coordinates,has Fobs","213110","2020-10-21","18:00:00",""
"2242814","24.742","0.003","5.5002","0.0006","19.387","0.002","90","","98.292","0.006","90","","2610.7","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[(2-Hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate","","- C15 H16 N O4.5 -","- C15 H16 N O4.5 -","- C120 H128 N8 O36 -","8","1","LD2147","Kamaal, Saima; Faizi, Md. Serajul Haque; Ali, Arif; Ahmad, Musheer; Gupta, Mayank; Dege, Necmi; Iskenderov, Turganbay","Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate","Acta Crystallographica Section E","2019","75","2","159","162","10.1107/S2056989018018455","","","0.71073","MoKα","","0.0521","0.0417","","","0.0989","0.1073","","","","","","1.054","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242815","11.546","0.003","12.564","0.003","13.172","0.003","101.991","0.003","97.535","0.003","99.847","0.003","1813.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N-{2-[(E)-(4-Methylbenzylidene)amino]phenyl}-2-(5-methyl-1-H-pyrazol-3-yl)acetamide hemihydrate","","- C20 H21 N4 O1.5 -","- C20 H21 N4 O1.5 -","- C80 H84 N16 O6 -","4","2","XU5954","Chkirate, Karim; Kansiz, Sevgi; Karrouchi, Khalid; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of N-{2-[(E)-(4-methylbenzylidene)amino]phenyl}-2-(5-methyl-1-H-pyrazol-3-yl)acetamide hemihydrate","Acta Crystallographica Section E","2019","75","2","154","158","10.1107/S2056989018017747","","","0.71073","MoKα","","0.0749","0.0463","","","0.1105","0.1218","","","","","","1.035","","","","has coordinates,has Fobs","213113","2020-10-21","18:00:00",""
"2242816","10.214","0.0006","10.5133","0.0008","15.3297","0.001","106.652","0.003","99.111","0.003","97.416","0.004","1530.51","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[(2E)-2-Methyl-3-phenylprop-2-en-1-ylidene]-N-phenylhydrazinecarboxamide","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","2","JJ2206","Saritha, S. R.; Anitha, L.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R.","Crystal structure of 2-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-N-phenylhydrazinecarboxamide","Acta Crystallographica Section E","2019","75","2","163","166","10.1107/S2056989018018376","","","0.71073","MoKα","","0.1026","0.051","","","0.137","0.1753","","","","","","0.948","","","","has coordinates,has Fobs","213114","2020-10-21","18:00:00",""
"2242817","9.6417","0.0017","13.604","0.002","12.174","0.002","90","","105.155","0.002","90","","1541.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Iodobenzoyl)-4-(pyrimidin-2-yl)piperazine","","- C15 H15 I N4 O -","- C15 H15 I N4 O -","- C60 H60 I4 N16 O4 -","4","1","WM5479","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Furuya, Tetsundo; Akitsu, Takashiro; Glidewell, Christopher","The crystal structure of 1-(2-iodobenzoyl)-4-(pyrimidin-2-yl)piperazine: a three-dimensional hydrogen-bonded framework, augmented by π‒π stacking interactions and I···N halogen bonds","Acta Crystallographica Section E","2019","75","2","129","133","10.1107/S205698901801811X","","","0.71073","MoKα","","0.0294","0.0276","","","0.0737","0.0751","","","","","","1.049","","","","has coordinates,has Fobs","213115","2020-10-21","18:00:00",""
"2242818","12.7792","0.0014","5.2144","0.0004","15.6368","0.0018","90","","111.808","0.004","90","","967.4","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[di-μ~3~-glycine-lithium] perchlorate]","","- C4 H10 Cl Li N2 O8 -","- C4 H10 Cl Li N2 O8 -","- C16 H40 Cl4 Li4 N8 O32 -","4","1","EX2017","Revathi, Palanisamy; Mohan, Janani S.; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah","Crystal structure and Hirshfeld surface analysis of poly[[di-μ~3~-glycine-lithium] perchlorate]","Acta Crystallographica Section E","2019","75","2","134","138","10.1107/S2056989018018145","","","0.71073","MoKα","","0.0371","0.033","","","0.0881","0.0916","","","","","","1.067","","","","has coordinates,has Fobs","213116","2020-10-21","18:00:00",""
"2242819","9.6002","0.001","11.5584","0.0013","12.5823","0.0012","90","","90","","90","","1396.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","(E)-N'-(2-Bromobenzylidene)-4-methylbenzohydrazide","(E)-4-Methyl-N'-(2-bromobenzylidene)benzohydrazide","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","LH5887","Anitha, Azhagan Ganapathi; Arunagiri, Chidambaram; Subashini, Annamalai","Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (E)-N'-(2-bromobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2019","75","2","109","114","10.1107/S2056989018017978","","","0.71073","MoKα","","0.0763","0.0365","","","0.0723","0.0974","","","","","","1.095","","","","has coordinates","213117","2020-10-21","18:00:00",""
"2242820","10.6777","0.0004","11.6095","0.0004","12.6037","0.0008","98.383","0.003","105.378","0.003","115.522","0.002","1297.32","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6'-(4-Chlorophenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2H,6'H,8'H-spiro[acenaphthylene-1,12'-chromeno[3,4-a]indolizin]-2-one","","- C32 H25 Cl N2 O4 -","- C32 H25 Cl N2 O4 -","- C64 H50 Cl2 N4 O8 -","2","1","SU5472","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J.","The crystal structures of 6'-(4-chlorophenyl)- and 6'-(4-methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2H,6'H,8'H-spiro[acenaphthylene-1,12'-chromeno[3,4-a]indolizin]-2-one","Acta Crystallographica Section E","2019","75","2","218","222","10.1107/S2056989019000422","","","0.71073","MoKα","","0.0737","0.0493","","","0.1294","0.1503","","","","","","1.019","","","","has coordinates,has disorder","213118","2020-10-21","18:00:00",""
"2242821","19.8942","0.0002","13.6097","0.0007","20.7822","0.0001","90","","107.268","0.003","90","","5373.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6'-(4-Methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2H,6'H,8'H-spiro[acenaphthylene-1,12'-chromeno[3,4-a]indolizin]-2-one","","- C33 H28 N2 O5 -","- C33 H28 N2 O5 -","- C264 H224 N16 O40 -","8","2","SU5472","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J.","The crystal structures of 6'-(4-chlorophenyl)- and 6'-(4-methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2H,6'H,8'H-spiro[acenaphthylene-1,12'-chromeno[3,4-a]indolizin]-2-one","Acta Crystallographica Section E","2019","75","2","218","222","10.1107/S2056989019000422","","","0.71073","MoKα","","0.0927","0.0479","","","0.1081","0.1298","","","","","","1.022","","","","has coordinates,has disorder","213118","2020-10-21","18:00:00",""
"2242822","5.9864","0.0002","8.4104","0.0003","10.2903","0.0003","74.798","0.003","76.756","0.003","72.878","0.002","471.28","0.03","300","","300","","","","","","","","","5","P -1","-P 1","2","Sodium rubidium hydrogen citrate","Poly[(μ-hydrogen citrato)rubidiumsodium]","","- C6 H6 Na O7 Rb -","- C6 H6 Na O7 Rb -","- C12 H12 Na2 O14 Rb2 -","2","1","VN2138","Cigler, Andrew J.; Kaduk, James A.","Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons","Acta Crystallographica Section E","2019","75","2","223","227","10.1107/S205698901900063X","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","","","1.74","","","","","","","has coordinates","213223","2020-10-21","18:00:00",""
"2242823","5.9859","","8.4102","","10.2904","","74.7995","","76.7573","","72.8749","","471.234","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Na O7 Rb -","- C6 H6 Na O7 Rb -","- C12 H12 Na2 O14 Rb2 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons","Acta Crystallographica Section E","2019","75","2","223","227","10.1107/S205698901900063X","","","","","","","","","","","","","","","","","","","","","has coordinates","213223","2020-10-21","18:00:00",""
"2242824","10.8913","0.0005","5.5168","0.0002","17.7908","0.0008","90","","97.014","0.004","90","","1060.96","0.08","300","","300","","","","","","","","","5","I 1 2 1","I 2y","5","Sodium caesium hydrogen citrate","Poly[(μ-hydrogen citrato)caesiumsodium]","","- C6 H6 Cs Na O7 -","- C6 H6 Cs Na O7 -","- C24 H24 Cs4 Na4 O28 -","4","1","VN2138","Cigler, Andrew J.; Kaduk, James A.","Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons","Acta Crystallographica Section E","2019","75","2","223","227","10.1107/S205698901900063X","powder diffraction","x-ray","0.709319","Kα~1~","","","","","","","","","","2.36","","","","","","","has coordinates","213223","2020-10-21","18:00:00",""
"2242825","10.8918","","5.5166","","17.7909","","90","","97.016","","90","","1060.97","","","","","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C6 H6 Cs Na O7 -","- C6 H6 Cs Na O7 -","- C24 H24 Cs4 Na4 O28 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons","Acta Crystallographica Section E","2019","75","2","223","227","10.1107/S205698901900063X","","","","","","","","","","","","","","","","","","","","","has coordinates","213223","2020-10-21","18:00:00",""
"2242826","6.10537","0.0001","7.58687","0.00013","26.8196","0.0005","90","","90","","90","","1242.3","0.04","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzyl naphthalen-2-yl ether","2-(Benzyloxy)naphthalene","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","IS5508","Kikuchi, Takuya; Gontani, Saori; Miyanaga, Kyohei; Kurata, Takaaki; Akatani, Yoshiki; Matsumoto, Shinya","Crystal structure of benzyl 2-naphthyl ether, a sensitiser for thermal paper","Acta Crystallographica Section E","2019","75","2","242","245","10.1107/S2056989019000690","","","1.54184","CuKα","","0.0448","0.0424","","","0.1041","0.1069","","","","","","1.013","","","","has coordinates,has Fobs","213224","2020-10-21","18:00:00",""
"2242827","5.5373","0.0001","24.0197","0.0004","11.7815","0.0003","90","","103.488","0.002","90","","1523.77","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4,4-Dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2H-pyran-2,4-dione","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","LH5890","Samba, Mohamed; Minnih, Mohamed Said; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry P.; Sebbar, Nada Kheira; Essassi, El Mokhtar","Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2H-pyran-2,4-dione","Acta Crystallographica Section E","2019","75","2","228","232","10.1107/S2056989019000689","","x-ray","1.54184","CuKα","","0.0465","0.0397","","","0.1063","0.1122","","","","","","1.045","","","","has coordinates,has Fobs","213225","2020-10-21","18:00:00",""
"2242828","15.8644","0.0005","7.2242","0.0002","12.7595","0.0004","90","","97.038","0.002","90","","1451.32","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-1-[2,2-Dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","","- C14 H8 Cl2 F N3 O2 -","- C14 H8 Cl2 F N3 O2 -","- C56 H32 Cl8 F4 N12 O8 -","4","1","RZ5248","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Bagirova, Khanim N.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","Acta Crystallographica Section E","2019","75","2","237","241","10.1107/S2056989019000707","","","0.71073","MoKα","","0.0401","0.0309","","","0.0826","0.0885","","","","","","1.045","","","","has coordinates,has Fobs","213226","2020-10-21","18:00:00",""
"2242829","11.3058","0.0009","10.0905","0.0008","15.1957","0.0012","90","","101.072","0.001","90","","1701.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6a,6b,7,11a-Tetrahydro-6H,9H-spiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,3'-indoline]-2',6-dione","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C80 H64 N8 O12 S4 -","4","1","SU5467","Pangajavalli, S.; Ranjithkumar, R.; Srinivasan, N.; Ramaswamy, S.; Selvanayagam, S.","Crystal structures of 6a,6b,7,11a-tetrahydro-6H,9H-spiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,3'-indoline]-2',6-dione and 5'-methyl-6a,6b,7,11a-tetrahydro-6H,9H-spiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,3'-indoline]-2',6-dione","Acta Crystallographica Section E","2019","75","2","246","250","10.1107/S2056989019000045","","","0.71073","MoKα","","0.0579","0.052","","","0.1359","0.141","","","","","","1.023","","","","has coordinates,has Fobs","213287","2020-10-21","18:00:00",""
"2242830","8.3648","0.0005","9.7648","0.0006","11.9677","0.0007","112.622","0.001","99.388","0.001","91.885","0.001","885.31","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5'-Methyl-6a,6b,7,11a-tetrahydro-6H,9H-spiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,3'-indoline]-2',6-dione","","- C21 H18 N2 O3 S -","- C21 H18 N2 O3 S -","- C42 H36 N4 O6 S2 -","2","1","SU5467","Pangajavalli, S.; Ranjithkumar, R.; Srinivasan, N.; Ramaswamy, S.; Selvanayagam, S.","Crystal structures of 6a,6b,7,11a-tetrahydro-6H,9H-spiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,3'-indoline]-2',6-dione and 5'-methyl-6a,6b,7,11a-tetrahydro-6H,9H-spiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,3'-indoline]-2',6-dione","Acta Crystallographica Section E","2019","75","2","246","250","10.1107/S2056989019000045","","","0.71073","MoKα","","0.0518","0.0481","","","0.1364","0.1403","","","","","","1.046","","","","has coordinates,has Fobs","213287","2020-10-21","18:00:00",""
"2242831","8.921","0.0002","11.6792","0.0002","24.702","0.0004","90","","90.051","0.002","90","","2573.7","0.08","130","2","130.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Acetylthiophene -1-phthalazinylhydrazone","1-(1,2-Dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine","","- C14 H12 N4 S -","- C14 H12 N4 S -","- C112 H96 N32 S8 -","8","2","LH5889","Majoumo-Mbe, Felicite; Ngwang Nfor, Emmanuel; Kenfack Tsobnang, Patrice; Nguepmeni Eloundou, Valoise Brenda; Ngwain Yong, Joseph; Iris Efeti, Ikome","Synthesis, molecular and crystal structure of 1-(1,2-dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine","Acta Crystallographica Section E","2019","75","2","251","254","10.1107/S2056989019000732","","","0.71073","MoKα","","0.0776","0.0496","","","0.0937","0.1048","","","","","","1.018","","","","has coordinates","213288","2020-10-21","18:00:00",""
"2242832","14.188","0.0001","23.445","0.0003","18.371","0.0002","90","","104.541","0.002","90","","5915.14","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11'-indeno[1,2-b]quinoxaline]","","- C35 H27 Cl N4 O3 -","- C35 H27 Cl N4 O3 -","- C280 H216 Cl8 N32 O24 -","8","2","SU5475","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J.","Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11'-indeno[1,2-b]quinoxaline]","Acta Crystallographica Section E","2019","75","2","255","259","10.1107/S2056989019000975","","","0.71073","MoKα","","0.1007","0.0477","","","0.1127","0.1281","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","213350","2020-10-21","18:00:00",""
"2242833","5.7307","0.0006","19.733","0.002","22.436","0.003","90","","92.4","0.004","90","","2534.9","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1H-benzimidazole acetone disolvate","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C112 H128 N8 O16 -","4","1","ZL2750","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.","Intermolecular interactions in a phenol-substituted benzimidazole","Acta Crystallographica Section E","2019","75","2","272","276","10.1107/S2056989019001270","","","0.71073","MoKα","","0.0858","0.0575","","","0.1695","0.1945","","","","","","1.067","","","","has coordinates,has Fobs","213388","2020-10-21","18:00:00",""
"2242834","7.7627","0.0003","11.7335","0.0005","12.7969","0.0005","90","","98.527","0.004","90","","1152.7","0.08","116","2","116","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Acetylferrocen-1-yl)boronic acid","","- C12 H13 B Fe O3 -","- C12 H13 B Fe O3 -","- C48 H52 B4 Fe4 O12 -","4","1","WM5476","Preuss, Andrea; Korb, Marcus; Lang, Heinrich","Crystal structure of (2-acetylferrocen-1-yl)boronic acid","Acta Crystallographica Section E","2019","75","2","268","271","10.1107/S2056989019001178","","","0.71073","MoKα","","0.0361","0.03","","","0.0671","0.0705","","","","","","1.079","","","","has coordinates,has Fobs","213389","2020-10-21","18:00:00",""
"2242835","17.5353","0.0008","22.4798","0.0009","21.2031","0.0009","90","","109.455","0.001","90","","7880.8","0.6","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tiiii[C~3~H~7~,CH~3~,C~6~H~5~] mephedrone hydrochloride methanol monosolvate","Methyl[1-(4-methylphenyl)-1-oxopropan-2-yl]azanium chloride 2,8,14,20-tetrapropyl-5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-O,O')resorcin[4]arene methanol monosolvate","","- C80 H88 Cl N O14 P4 -","- C80 H88 Cl N O14 P4 -","- C320 H352 Cl4 N4 O56 P16 -","4","1","EX2018","Biavardi, Elisa; Massera, Chiara","Crystal structure of a host‒guest complex between mephedrone hydrochloride and a tetraphosphonate cavitand","Acta Crystallographica Section E","2019","75","2","277","283","10.1107/S2056989019001464","","","0.71069","MoKα","","0.1181","0.0767","","","0.2363","0.2752","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","213390","2020-10-21","18:00:00",""
"2242836","12.0588","0.0006","7.5515","0.0003","33.0408","0.0016","90","","94.021","0.004","90","","3001.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-benzoylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κN)nickel(II) methanol monosolvate","","- C29 H30 N4 Ni O5 S2 -","- C29 H30 N4 Ni O5 S2 -","- C116 H120 N16 Ni4 O20 S8 -","4","1","WM5485","Wellm, Carsten; Näther, Christian","Crystal structure of bis(4-benzoylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κN)nickel(II) methanol monosolvate","Acta Crystallographica Section E","2019","75","2","299","303","10.1107/S2056989019001555","","","0.71073","MoKα","","0.0522","0.0412","","","0.0995","0.1045","","","","","","1.095","","","","has coordinates,has Fobs","213442","2020-10-21","18:00:00",""
"2242837","11.2743","0.0012","11.2898","0.0012","12.6478","0.0013","111.923","0.001","114.325","0.001","95.903","0.001","1296.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Trihexyphenidylium 3,5-dinitrobenzoate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 3,5-dinitrobenzoate","","- C27 H35 N3 O7 -","- C27 H35 N3 O7 -","- C54 H70 N6 O14 -","2","1","ZL2748","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Co-crystallization of 3,5-dinitrobenzoic acid with two antipsychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O—H···O hydrogen bond with chlorprothixene","Acta Crystallographica Section E","2019","75","2","292","298","10.1107/S2056989019001385","","","0.71073","MoKα","","0.0459","0.0398","","","0.1051","0.1092","","","","","","1.069","","","","has coordinates,has Fobs","213443","2020-10-21","18:00:00",""
"2242838","11.3454","0.0008","24.3857","0.0016","11.6098","0.0008","90","","93.691","0.001","90","","3205.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[3-(2-Chloro-9H-thioxanthen-9-yl)propyl]dimethylammonium hydrogen bis(3,5-dinitrobenzoate)","(Z)-3-(2-Chloro-9H-thioxanthen-9-yl)-N,N-dimethylpropan-1-aminium hydrogen bis(3,5-dinitrobenzoate)","","- C32 H26 Cl N5 O12 S -","- C32 H26 Cl N5 O12 S -","- C128 H104 Cl4 N20 O48 S4 -","4","1","ZL2748","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Co-crystallization of 3,5-dinitrobenzoic acid with two antipsychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O—H···O hydrogen bond with chlorprothixene","Acta Crystallographica Section E","2019","75","2","292","298","10.1107/S2056989019001385","","","0.71073","MoKα","","0.0406","0.0359","","","0.0944","0.0976","","","","","","1.038","","","","has coordinates,has Fobs","213443","2020-10-21","18:00:00",""
"2242839","13.723","0.0009","6.5757","0.0004","15.3224","0.001","90","","111.841","0.001","90","","1283.42","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-Amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate","2-Amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate","","- C12 H7 Br F4 N2 O2 -","- C12 H7 Br F4 N2 O2 -","- C48 H28 Br4 F16 N8 O8 -","4","1","PK2612","Bosch, Eric","Crystal structure of the co-crystal salt 2-amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate","Acta Crystallographica Section E","2019","75","2","284","287","10.1107/S2056989019001294","","","0.71073","MoKα","","0.035","0.0257","","","0.0559","0.059","","","","","","1.039","","","","has coordinates,has Fobs","213444","2020-10-21","18:00:00",""
"2242840","6.432","0.0002","9.3645","0.0003","13.607","0.0005","90","","101.868","0.002","90","","802.06","0.05","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane","","- C15 H16 F6 N O P -","- C15 H16 F6 N O P -","- C30 H32 F12 N2 O2 P2 -","2","1","LH5891","Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P.","Crystal structure determination of two pyridine derivatives: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane","Acta Crystallographica Section E","2019","75","2","288","291","10.1107/S2056989019001403","","","0.71073","MoKα","","0.0366","0.0321","","","0.0809","0.0844","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","213445","2020-10-21","18:00:00",""
"2242841","19.4596","0.0014","10.7416","0.0008","11.9654","0.0009","90","","125.864","0.002","90","","2026.9","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-{(E)-2-[4-(Dimethylamino)phenyl]ethenyl}-1-phenyl-1λ^5^-pyridin-\ 1-ylium hexafluoro-λ^6^-phosphane","","- C21 H21 F6 N2 P -","- C21 H21 F6 N2 P -","- C84 H84 F24 N8 P4 -","4","1","LH5891","Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P.","Crystal structure determination of two pyridine derivatives: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane","Acta Crystallographica Section E","2019","75","2","288","291","10.1107/S2056989019001403","","","0.71073","MoKα","","0.0913","0.0643","","","0.1773","0.2034","","","","","","1.069","","","","has coordinates,has Fobs","213445","2020-10-21","18:00:00",""
"2242842","15.2043","0.0003","17.4555","0.0005","18.1232","0.0004","83.797","0.002","79.818","0.002","89.191","0.002","4706.3","0.2","179","2","179","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Nitrophenyl)-1,1-bis{2-[3-(4-nitrophenyl)ureido]ethyl}urea tetrabutylammonium dihydrogen phosphate","","- C41 H63 N10 O13 P -","- C41 H63 N10 O13 P -","- C164 H252 N40 O52 P4 -","4","2","","Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Crystal structure of a host‒guest complex of the tris-urea receptor, 3-(4-nitrophenyl)-1,1-bis{2-[3-(4-nitrophenyl)ureido]ethyl}urea, that encapsulates hydrogen-bonded chains of dihydrogen phosphate anions with separate tetra-n-butylammonium counter-ions","Acta Crystallographica Section E","2019","75","3","319","323","10.1107/S2056989019001336","","","1.54184","CuKα","","0.0745","0.0652","","","0.1537","0.1603","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","213576","2020-10-21","18:00:00",""
"2242843","35.8175","0.0017","10.5633","0.0005","24.0946","0.0011","90","","131.781","0.002","90","","6797.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium","","- C32 H41 Cl2 N3 Ru -","- C32 H41 Cl2 N3 Ru -","- C256 H328 Cl16 N24 Ru8 -","8","1","HB7792","Polyanskii, Kirill B.; Alekseeva, Kseniia A.; Kumandin, Pavel A.; Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.","Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate","Acta Crystallographica Section E","2019","75","3","342","345","10.1107/S2056989019001725","","","0.71073","MoKα","","0.0605","0.0382","","","0.1017","0.1097","","","","","","1.039","","","","has coordinates,has Fobs","213577","2020-10-21","18:00:00",""
"2242844","15.36","0.005","18.879","0.006","10.992","0.003","90","","102.524","0.005","90","","3111.6","1.7","218","2","218.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido(3-cyclohexhyl-2-phenyl-1,3-thiazolidin-4-one-κO)triphenyltin(IV)","","- C33 H34 Cl N O S Sn -","- C33 H34 Cl N O S Sn -","- C132 H136 Cl4 N4 O4 S4 Sn4 -","4","1","HB7780","Yennawar, Hemant P.; Tierney, John; Cannon, Kevin C.","Crystal structure of a 1:1 adduct of triphenyltin chloride with 3-cyclohexhyl-2-phenyl-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2019","75","3","338","341","10.1107/S2056989019001592","","","0.71073","MoKα","","0.1289","0.0833","","","0.196","0.2205","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","213578","2020-10-21","18:00:00",""
"2242845","7.0709","0.0004","19.8158","0.0013","13.1957","0.0007","90","","99.089","0.004","90","","1825.71","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-{(1E,1'E)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]-κ^4^O,N,N',O')nickel(II), [Ni(C~18~H~12~F~6~N~2~O~4~)]","","- C18 H12 F6 N2 Ni O4 -","- C18 H12 F6 N2 Ni O4 -","- C72 H48 F24 N8 Ni4 O16 -","4","1","","Demir Kanmazalp, Sibel; Meral, Seher; Dege, Necmi; Alaman Agar, Aysen; Fritsky, Igor O.","Crystal structure and Hirshfeld surfaces analysis of the nickel(II) complex of the Shiff base ligand 6,6'-{(1E,1'E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]","Acta Crystallographica Section E","2019","75","3","328","331","10.1107/S2056989019001919","","","0.71073","MoKα","","0.0964","0.0424","","","0.0634","0.0731","","","","","","0.815","","","","has coordinates,has Fobs","213579","2020-10-21","18:00:00",""
"2242846","8.481","0.001","8.481","0.001","27.05","0.005","90","","90","","120","","1685","0.4","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","caesium gallium bis(hydrogen arsenate)","Caesium gallium bis[hydrogen arsenate(V)]","","- As2 Cs Ga H2 O8 -","- As2.0002 Cs Ga H2 O8.0006 -","- As18.0018 Cs9 Ga9 H18 O72.0054 -","9","0.5","VN2142","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(HAsO~4~)~2~, the first Ga representative of the RbAl(HAsO~4~)~2~ structure type","Acta Crystallographica Section E","2019","75","3","346","349","10.1107/S2056989019002081","","","0.71073","MoKα","","0.0225","0.0194","","","0.0409","0.0418","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","213580","2020-10-21","18:00:00",""
"2242847","11.1952","0.0018","14.055","0.002","9.305","0.0012","90","","96.446","0.006","90","","1454.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-4-Bromo-N'-(2,3-dichlorobenzylidene)benzohydrazide","","- C14 H9 Br Cl2 N2 O -","- C14 H9 Br Cl2 N2 O -","- C56 H36 Br4 Cl8 N8 O4 -","4","1","SU5466","Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri","Crystal structure, Hirshfeld surface analysis and frontier molecular orbital analysis of (E)-4-bromo-N'-(2,3-dichlorobenzylidene)benzohydrazide","Acta Crystallographica Section E","2019","75","3","324","327","10.1107/S2056989019001816","","","0.71073","MoKα","","0.1284","0.0511","","","0.1333","0.1731","","","","","","0.936","","","","has coordinates,has Fobs","213581","2020-10-21","18:00:00",""
"2242848","8.906","0.004","29.412","0.011","19.505","0.009","90","","107.03","0.019","90","","4885","4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) hemihydrate","","- C32 H74 Cl4 N8 Ni2 O17 -","- C32 H74 Cl4 N8 Ni2 O17 -","- C128 H296 Cl16 N32 Ni8 O68 -","4","1","PK2613","Corfield, Peter W. R.; Goedken, Virgil L.","Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate","Acta Crystallographica Section E","2019","75","3","332","337","10.1107/S2056989019002056","","","1.5418","CuKα","","0.0737","0.04341","","","0.0992","0.1092","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","213582","2020-10-21","18:00:00",""
"2242849","60.3649","0.0018","19.8364","0.0009","7.9773","0.0003","90","","90","","90","","9552.2","0.6","295","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate","","- C16 H42 Br2 N4 Ni O3 -","- C16 H36 Br2 N4 Ni O3 -","- C256 H576 Br32 N64 Ni16 O48 -","16","1","","Corfield, Peter W. R.; Goedken, Virgil L.","Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate","Acta Crystallographica Section E","2019","75","3","332","337","10.1107/S2056989019002056","","","0.7107","MoKα","","0.0404","0.0346","","","0.0819","0.0849","","","","","","1.041","","","","has coordinates,has Fobs","213582","2020-10-21","18:00:00",""
"2242850","9.051","0.005","11.526","0.005","10.893","0.006","90","","90.345","0.016","90","","1136.4","1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methoxy-4-[2-(thiazol-2-yl)diazen-1-yl]aniline monohydrate","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","DX2014","Phiromphu, Nutchanikan; Chainok, Kittipong; Songsasen, Apisit; Duangthongyou, Tanwawan","Crystal structure of 3-methoxy-4-[2-(thiazol-2-yl)diazen-1-yl]aniline monohydrate","Acta Crystallographica Section E","2019","75","3","354","357","10.1107/S205698901900207X","","x-ray","0.71073","MoKα","","0.154","0.0545","","","0.0999","0.1306","","","","","","0.929","","","","has coordinates,has Fobs","213619","2020-10-21","18:00:00",""
"2242851","14.7251","0.0009","14.4444","0.0009","6.1698","0.0004","90","","98.241","0.005","90","","1298.74","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-6-[(5-Chloro-2-methoxyanilino)methylidene]-2-hydroxycyclohexa-2,4-dien-1-one","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C56 H48 Cl4 N4 O12 -","4","1","YK2119","Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Taşdemir, Volkan; Dege, Necmi; Aĝar, Erbil; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of a Schiff base: (Z)-6-[(5-chloro-2-methoxyanilino)methylidene]-2-hydroxycyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2019","75","3","362","366","10.1107/S2056989019002123","","","0.71073","MoKα","","0.1536","0.0574","","","0.0801","0.1003","","","","","","0.901","","","","has coordinates,has Fobs","213620","2020-10-21","18:00:00",""
"2242852","15.82801","0.00019","14.36708","0.00015","17.421","0.0002","90","","112.078","0.0013","90","","3671.09","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tris{4-[1-(2-methoxyethyl)imidazol-2-yl]-3-azabut-3-enyl}amine}iron(II) bis(hexafluoridophosphate)","","- C27 H41 F12 Fe N10 O3 P2 -","- C27 H41 F12 Fe N10 O3 P2 -","- C108 H164 F48 Fe4 N40 O12 P8 -","4","1","CQ2029","Znovjyak, Kateryna; Fritsky, Igor O.; Golenya, Iryna A.; Sliva, Tatiana Y.; Haukka, Matti","Crystal structure and magnetic properties of (tris{4-[1-(2-methoxyethyl)imidazol-2-yl]-3-azabut-3-enyl}amine)iron(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2019","75","3","358","361","10.1107/S2056989019001531","","","1.54184","CuKα","","0.0547","0.0478","","","0.1204","0.1258","","","","","","1.023","","","","has coordinates,has Fobs","213621","2020-10-21","18:00:00",""
"2242853","11.8407","0.0002","12.6001","0.0004","18.8671","0.0005","90.16","0.002","102.361","0.002","117.933","0.003","2411.88","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Potassium [4-amino-5-(benzo[d]thiazol-2-yl)-6-(methylsulfanyl)pyrimidin-2-yl](phenylsulfonyl)azanide dimethylformamide monosolvate hemihydrate","","- C21 H22 K N6 O3.5 S3 -","- C21 H22 K N6 O3.5 S3 -","- C84 H88 K4 N24 O14 S12 -","4","2","SU5477","Azzam, Rasha A.; Elgemeie, Galal H.; Osman, Rokia R.; Jones, Peter G.","Crystal structure of potassium [4-amino-5-(benzo[d]thiazol-2-yl)-6-(methylsulfanyl)pyrimidin-2-yl](phenylsulfonyl)azanide dimethylformamide monosolvate hemihydrate","Acta Crystallographica Section E","2019","75","3","367","371","10.1107/S2056989019002275","","","0.71073","MoKα","","0.0394","0.0304","","","0.0716","0.0766","","","","","","1.05","","","","has coordinates,has Fobs","213743","2020-10-21","18:00:00",""
"2242854","7.4069","0.0009","8.1959","0.001","24.133","0.003","90","","90.295","0.002","90","","1465","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","HB7802","Zaoui, Younes; Ramli, Youssef; Taoufik, Jamal; Mague, Joel T.; Jotani, Mukesh M.; Tiekink, Edward R. T.; Ansar, M'hammed","Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","3","392","396","10.1107/S205698901900241X","","","0.71073","MoKα","","0.0468","0.0407","","","0.1165","0.1201","","","","","","1.089","","","","has coordinates,has Fobs","213807","2020-10-21","18:00:00",""
"2242855","18.48641","0.00017","15.8431","0.00014","39.4611","0.0004","90","","93.0666","0.0008","90","","11540.9","0.19","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6,8-Tetrakis(3,5-di-tert-butylphenoxy)pyrimido[5,4-d]pyrimidine","","- C62 H84 N4 O4 -","- C62 H84 N4 O4 -","- C496 H672 N32 O32 -","8","2","HB7803","Gall, James H.; MacNicol, David D.; MacSween, Ross; Frampton, Christopher S.","Synthesis and crystal structure of 2,4,6,8-tetrakis(3,5-di-tert-butylphenoxy)pyrimido[5,4-d]pyrimidine: expansion of the Piedfort concept","Acta Crystallographica Section E","2019","75","3","383","387","10.1107/S2056989019002470","","","1.54184","CuKα","","0.0587","0.0479","","","0.1218","0.1297","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","213808","2020-10-21","18:00:00",""
"2242856","4.0602","0.0002","13.8983","0.0005","14.262","0.0005","117.809","0.002","93.155","0.002","94.416","0.002","705.96","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2Z)-2-(4-Fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one","","- C18 H12 F N O S -","- C18 H12 F N O S -","- C36 H24 F2 N2 O2 S2 -","2","1","LH5893","Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; Ouzidan, Younes; Moussaif, Ahmed; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(4-fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2019","75","3","372","377","10.1107/S2056989019002354","","","1.54178","CuKα","","0.0426","0.036","","","0.0876","0.0922","","","","","","1.044","","","","has coordinates,has Fobs","213809","2020-10-21","18:00:00",""
"2242857","9.1197","0.0002","11.1231","0.0002","11.9434","0.0002","107.049","0.001","107.729","0.001","106.622","0.001","1005.21","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquatris(μ-1,4-phenylenediacetato)dilanthanum(III)] octahydrate]","","- C30 H48 La2 O24 -","- C30 H48 La2 O24 -","- C30 H48 La2 O24 -","1","0.5","VN2143","Camara, Magatte; Badiane, Insa; Diallo, Mamoudou; Daiguebonne, Carole; Guillou, Olivier","Synthesis and crystal structure of a new coordination polymer based on lanthanum and 1,4-phenylenediacetate ligands","Acta Crystallographica Section E","2019","75","3","378","382","10.1107/S2056989019002378","","x-ray","0.71073","MoKα","","0.0447","0.0302","","","0.0648","0.0675","","","","","","1.028","","","","has coordinates,has Fobs","213810","2020-10-21","18:00:00",""
"2242858","11.7576","0.0007","11.9561","0.0008","14.1979","0.0009","91.71","0.001","105.728","0.001","111.98","0.001","1762.13","0.19","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","5,11,17,23-Tetramethyl-4,24:6,10:12,16:18,22-tetrakis(methylenedioxy)resorcin[4]arene acetic acid disolvate","","- C41 H40 O14 -","- C41 H40 O14 -","- C82 H80 O28 -","2","1","","Pedrini, Alessandro","Host‒guest supramolecular interactions between a resorcinarene-based cavitand bearing a ‒COOH moiety and acetic acid","Acta Crystallographica Section E","2019","75","3","397","401","10.1107/S2056989019002512","","","0.71069","MoKα","","0.1018","0.0668","","","0.1882","0.2207","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","213811","2020-10-21","18:00:00",""
"2242859","10.6853","0.0004","14.1009","0.0005","6.5481","0.0002","90","","103.842","0.001","90","","957.97","0.06","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tripotassium hexanickel iron hexaphosphate","","- Fe K3 Ni6 O24 P6 -","- Fe K2.996 Ni6 O24 P6 -","- Fe2 K5.992 Ni12 O48 P12 -","2","0.25","VN2144","Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of a new tripotassium hexanickel iron hexaphosphate","Acta Crystallographica Section E","2019","75","3","402","404","10.1107/S2056989019002706","","","0.71073","MoKα","","0.0251","0.024","","","0.061","0.0617","","","","","","1.067","","","","has coordinates,has Fobs","213877","2020-10-21","18:00:00",""
"2242860","13.4004","0.0007","15.6272","0.0006","10.3817","0.0005","90","","95.739","0.004","90","","2163.14","0.18","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,3-Di-tert-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-\ diazaphosphasiletidine","","- C20 H28 Cl N2 P Si -","- C20 H28 Cl N2 P Si -","- C80 H112 Cl4 N8 P4 Si4 -","4","1","PK2614","Mo, Dennis; Frank, Walter","Synthesis and crystal structure of 1,3-di-tert-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-diazaphosphasiletidine","Acta Crystallographica Section E","2019","75","3","405","409","10.1107/S2056989019002627","","","0.71073","MoKα","","0.0799","0.0625","","","0.098","0.1038","","","","","","1.495","","","","has coordinates,has disorder,has Fobs","213916","2020-10-21","18:00:00",""
"2242861","6.4842","0.0003","6.6833","0.0003","9.8171","0.0004","87.637","0.004","80.606","0.004","83.109","0.004","416.59","0.03","302","","302","","","","","","","","","5","P -1","-P 1","2","dilithium potassium citrate","dilithium potassium citrate","","- C6 H5 K Li2 O7 -","- C6 H5 K Li2 O7 -","- C12 H10 K2 Li4 O14 -","2","1","HB7800","Cigler, Andrew J.; Kaduk, James A.","Crystal structure of dilithium potassium citrate, Li~2~KC~6~H~5~O~7~ determined from powder diffraction data and DFT calculations","Acta Crystallographica Section E","2019","75","3","410","413","10.1107/S2056989019002809","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","","","1.65","","","","","","","has coordinates","213917","2020-10-21","18:00:00",""
"2242862","6.4842","","6.6833","","9.8171","","87.637","","80.606","","83.109","","416.593","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 K Li2 O7 -","- C6 H5 K Li2 O7 -","- C12 H10 K2 Li4 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Crystal structure of dilithium potassium citrate, Li~2~KC~6~H~5~O~7~ determined from powder diffraction data and DFT calculations","Acta Crystallographica Section E","2019","75","3","410","413","10.1107/S2056989019002809","","","","","","","","","","","","","","","","","","","","","has coordinates","213917","2020-10-21","18:00:00",""
"2242863","21.3758","0.0006","9.2781","0.0003","13.9722","0.0005","90","","102.654","0.003","90","","2703.75","0.15","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Idelalisib t-BuOH monosolvate dihydrate","5-Fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]quinazolin-4(3H)-one tert-butanol monosolvate dihydrate","","- C26 H32 F N7 O4 -","- C26 H32 F N7 O4 -","- C104 H128 F4 N28 O16 -","4","1","WM5487","Nerdinger, Sven; Stefinovic, Marijan; Richter, Frank; Olma, Jacek; Brysz, Michal; Walker, Tracy; Kahlenberg, Volker; Gelbrich, Thomas","Crystal structure of idelalisib tert-butanol monosolvate dihydrate","Acta Crystallographica Section E","2019","75","3","414","417","10.1107/S2056989019002743","","x-ray","0.71073","MoKα","","0.0429","0.0388","","","0.095","0.098","","","","","","1.067","","","","has coordinates,has Fobs","213918","2020-10-21","18:00:00",""
"2242864","7.7842","0.0005","8.8802","0.0005","22.2112","0.0015","94.791","0.005","97.62","0.005","90.043","0.005","1516.37","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","2","YK2118","Yaman, Mavişe; Cakmak, Şukriye; Dege, Necmi; Odabaşoğlu, Mustafa; Pavlenko, Vadim A.; Kutuk, Halil","Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate","Acta Crystallographica Section E","2019","75","4","423","427","10.1107/S2056989019000021","","","0.71073","MoKα","","0.128","0.0569","","","0.1349","0.159","","","","","","0.899","","","","has coordinates,has Fobs","214084","2020-10-21","18:00:00",""
"2242865","7.5106","0.0011","9.314","0.0013","17.343","0.003","90","","90","","90","","1213.2","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Oxo-1,3-thiazolidin-4-iminium chloride","","- C3 H5 Cl N2 O S -","- C3 H5 Cl N2 O S -","- C24 H40 Cl8 N16 O8 S8 -","8","1","JJ2207","Muthukumar, Manickam; Karthikeyan, Ammasai; Poovarasan, Madehswaran; Ruckmani, Vadivel; Rajaram, Dhanakotti; Jegan Jeniferc, Simson; Abdul Razak, Ibrahim","Redetermination of the crystal structure of 2-oxo-1,3-thiazolidin-4-iminium chloride","Acta Crystallographica Section E","2019","75","4","443","446","10.1107/S2056989019003189","","","0.71073","MoKα","","0.0328","0.027","","","0.0725","0.0768","","","","","","1.053","","","","has coordinates,has Fobs","214085","2020-10-21","18:00:00",""
"2242866","11.5584","0.0015","12.9709","0.0017","20.761","0.003","90","","103.161","0.0016","90","","3030.8","0.7","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Di-μ-carbonyl-tricarbonyl[2,8,9-tris(pyridin-2-ylmethyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane]ironnickel","","- C29 H30 Fe N7 Ni O5 P -","- C29 H30 Fe N7 Ni O5 P -","- C116 H120 Fe4 N28 Ni4 O20 P4 -","4","1","SU5488","Sutthirat, Natwara; Ziller, Joseph W.; Yang, Jenny Y.; Thammavongsy, Zachary","Crystal structure of NiFe(CO)~5~[tris(pyridylmethyl)azaphosphatrane]: a synthetic mimic of the NiFe hydrogenase active site incorporating a pendant pyridine base","Acta Crystallographica Section E","2019","75","4","438","442","10.1107/S2056989019003256","","","0.71073","MoKα","","0.0285","0.0249","","","0.0626","0.0645","","","","","","1.039","","","","has coordinates,has Fobs","214087","2020-10-21","18:00:00",""
"2242867","10.8328","0.0002","13.2452","0.0002","18.1426","0.0003","111.276","0.001","90.182","0.001","90.125","0.001","2425.7","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(1H-Indol-3-yl)ethanaminium acetate hemihydrate","","- C12 H17 N2 O2.5 -","- C12 H17 N2 O2.5 -","- C96 H136 N16 O20 -","8","4","SU5480","Rajeswari, Balakrishnan; Santhi, Radhakrishnan; Sivajeyanthi, Palaniyappan; Balasubramani, Kasthuri","Crystal structure and Hirshfeld surface analysis of 2-(1H-indol-3-yl)ethanaminium acetate hemihydrate","Acta Crystallographica Section E","2019","75","4","451","455","10.1107/S2056989019003347","","","1.54178","CuKα","","0.0934","0.0535","","","0.1212","0.142","","","","","","1.056","","","","has coordinates,has Fobs","214144","2020-10-21","18:00:00",""
"2242868","9.2839","0.0003","12.0281","0.0004","12.5999","0.0004","108.79","0.001","109.143","0.001","91.866","0.001","1243.25","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ~2~-triphenylacetato-κO:κO')bis(diisobutylaluminium)","","- C56 H66 Al2 O4 -","- C56 H66 Al2 O4 -","- C56 H66 Al2 O4 -","1","0.5","TX2010","Vinogradov, Alexander A.; Minyaev, Mikhail E.; Lyssenko, Konstantin A.; Nifant'ev, Ilya E.","Crystal structure of bis(μ~2~-triphenylacetato-κO:κO')bis(diisobutylaluminium)","Acta Crystallographica Section E","2019","75","4","456","459","10.1107/S2056989019003396","","","0.71073","MoKα","","0.0487","0.0382","","","0.0965","0.1047","","","","","","1.015","","","","has coordinates","214145","2020-10-21","18:00:00",""
"2242869","14.18206","0.0001","9.78934","0.00011","9.37624","0.0001","90","","90","","90","","1301.73","0.02","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Strontium perchlorate anhydrate","Strontium perchlorate anhydrate","","- Cl2 O8 Sr -","- Cl2 O8 Sr -","- Cl16 O64 Sr8 -","8","1","WM5484","Hyoung, Jooeun; Lee, Hyeon Woo; Kim, So Jin; Shin, Hong Rim; Hong, Seung-Tae","Crystal structure of strontium perchlorate anhydrate, Sr(ClO~4~)~2~, from laboratory powder X-ray diffraction data","Acta Crystallographica Section E","2019","75","4","447","450","10.1107/S2056989019003335","powder diffraction","x-ray","1.5405","Cukα~1~","","","","","","","","","","1.31","","","","","","","has coordinates","214146","2020-10-21","18:00:00",""
"2242870","9.8037","0.0009","8.9815","0.0009","18.8946","0.0017","90","","90.985","0.004","90","","1663.5","0.3","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","(E,E)-3-Methyl-2,5-bis(4-methylbenzylidene)cyclopentanone","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","FY2134","Mahdi, Fatiha; Sid, Assia; Bouchene, Rafika; Mosset, Paul; Roisnel, Thierry","(E,E)-3-Methyl-2,5-bis(4-methylbenzylidene)cyclopentanone: synthesis, characterization, Hirshfeld surface analysis and antibacterial activity","Acta Crystallographica Section E","2019","75","4","506","511","10.1107/S2056989019003827","","x-ray","0.71073","MoKα","","0.1172","0.07","","","0.1522","0.1713","","","","","","1.118","","","","has coordinates,has Fobs","214372","2020-10-21","18:00:00",""
"2242871","13.3417","0.0008","7.103","0.0005","25.1418","0.0018","90","","90","","90","","2382.6","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(Z)-3-(4-Chlorophenyl)-2-phenylacrylonitrile","","- C15 H10 Cl N -","- C15 H10 Cl N -","- C120 H80 Cl8 N8 -","8","1","","Udayakumar, Mani; Cerón, Margarita; Ceballos, Paulina; Percino, Judith; Thamotharan, Subbiah","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-chlorophenyl)-2-phenylacrylonitrile: insights from PIXEL and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","4","499","505","10.1107/S2056989019003694","","","1.54178","CuKα","","0.0549","0.0499","","","0.1178","0.1215","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","214373","2020-10-21","18:00:00",""
"2242872","11.28453","0.00011","12.38182","0.00012","6.67905","0.00009","90","","92.0618","0.0006","90","","932.613","0.018","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Acridine","Acridine","","- C13 H9 N -","- C13 H9 N -","- C52 H36 N4 -","4","1","EB2017","Stephens, Peter W.; Schur, Einat; Lapidus, Saul H.; Bernstein, Joel","Acridine form IX","Acta Crystallographica Section E","2019","75","4","489","491","10.1107/S2056989019003645","powder diffraction","","0.699789","synchrotron","","","","","","","","","","1.784","","","","","","","has coordinates,has Fobs","214374","2020-10-21","18:00:00",""
"2242873","30.79","0.003","9.0703","0.0006","4.8579","0.0003","90","","90","","90","","1356.69","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C60 H48 F12 N4 O12 -","4","1","WM5488","Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Dege, Necmi; Aĝar, Erbil; Bulbul, Hakan; Golenya, Irina A.","(Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol","Acta Crystallographica Section E","2019","75","4","470","474","10.1107/S2056989019003220","","","0.71073","MoKα","","0.131","0.0621","","","0.0744","0.0877","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","214375","2020-10-21","18:00:00",""
"2242874","8.526","0.0003","8.8415","0.0003","11.9462","0.0004","88.66","0.002","69.568","0.002","70.724","0.002","792.27","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-{2-[(2-Oxo-2H-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C34 H38 N6 O10 -","2","1","SU5482","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.","The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2H-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide and N-(2,4-dimethoxybenzyl)-2-[(2-oxo-2H-chromen-4-yl)oxy]acetamide","Acta Crystallographica Section E","2019","75","4","482","488","10.1107/S2056989019003736","","","0.71073","MoKα","","0.0444","0.0388","","","0.1049","0.1101","","","","","","1.043","","","","has coordinates,has Fobs","214376","2020-10-21","18:00:00",""
"2242875","7.2779","0.0002","8.5759","0.0003","14.4099","0.0005","90","","93.796","0.005","90","","897.41","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2,4-Dimethoxybenzyl)-2-[(2-oxo-2H-chromen-4-yl)oxy]acetamide","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C40 H38 N2 O12 -","2","1","SU5482","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.","The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2H-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide and N-(2,4-dimethoxybenzyl)-2-[(2-oxo-2H-chromen-4-yl)oxy]acetamide","Acta Crystallographica Section E","2019","75","4","482","488","10.1107/S2056989019003736","","","0.71073","MoKα","","0.1246","0.0832","","","0.2039","0.2425","","","","","","0.979","","","","has coordinates,has Fobs","214376","2020-10-21","18:00:00",""
"2242876","6.1446","0.0006","9.7407","0.0008","11.6801","0.0011","109.657","0.007","92.325","0.008","91.664","0.007","657.13","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9-Bromo-2,5-dimethyl-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine","","- C13 H13 Br N4 O -","- C13 H13 Br N4 O -","- C26 H26 Br2 N8 O2 -","2","1","","Gumus, Mustafa Kemal; Kansiz, Sevgi; Yuksektepe Ataol, Cigdem; Dege, Necmi; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine derivatives","Acta Crystallographica Section E","2019","75","4","492","498","10.1107/S2056989019003700","","","0.71073","MoKα","","0.1014","0.045","","","0.0968","0.115","","","","","","0.98","","","","has coordinates,has Fobs","214377","2020-10-21","18:00:00",""
"2242877","11.2814","0.0006","12.6299","0.0006","22.0008","0.0015","90","","90","","90","","3134.7","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Methoxy-5-methyl-2-(pyridin-4-yl)-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","1","","Gumus, Mustafa Kemal; Kansiz, Sevgi; Yuksektepe Ataol, Cigdem; Dege, Necmi; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine derivatives","Acta Crystallographica Section E","2019","75","4","492","498","10.1107/S2056989019003700","","","0.71073","MoKα","","0.1412","0.0385","","","0.0559","0.0725","","","","","","0.798","","","","has coordinates,has Fobs","214377","2020-10-21","18:00:00",""
"2242878","3.8617","0.0008","24.249","0.005","14.724","0.003","90","","94.3","0.03","90","","1374.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-(4-Chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]\ diazene","","- C14 H8 Cl3 F N2 -","- C14 H8 Cl3 F N2 -","- C56 H32 Cl12 F4 N8 -","4","1","IS5510","Shikhaliyev, Namiq Q.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bagirova, Khanim N.; Suleymanova, Gulnar T.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of (E)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]diazene","Acta Crystallographica Section E","2019","75","4","465","469","10.1107/S2056989019003657","","","0.80246","synchrotron","","0.0563","0.0528","","","0.1385","0.1419","","","","","","1.054","","","","has coordinates,has Fobs","214378","2020-10-21","18:00:00",""
"2242879","7.7487","0.0003","7.8575","0.0003","21.4486","0.0006","86.136","0.003","88.693","0.002","65.08","0.004","1181.61","0.08","99.97","0.15","99.97","0.15","","","","","","","","6","P -1","-P 1","2","","2,2'-Dithiodibenzoic acid‒2-chlorobenzoic acid‒N,N-dimethylformamide (1/1/1)","","- C24 H22 Cl N O7 S2 -","- C24 H22 Cl N O7 S2 -","- C48 H44 Cl2 N2 O14 S4 -","2","1","HB7808","Tan, Sang Loon; Tiekink, Edward R. T.","A 1:1:1 co-crystal solvate comprising 2,2'-dithiodibenzoic acid, 2-chlorobenzoic acid and N,N-dimethylformamide: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2019","75","4","475","481","10.1107/S205698901900375X","","x-ray","1.54184","CuKα","","0.0704","0.0667","","","0.199","0.2025","","","","","","1.097","","","","has coordinates,has Fobs","214379","2020-10-21","18:00:00",""
"2242880","6.7872","0.0002","11.6926","0.0003","19.4863","0.0005","90","","90","","90","","1546.43","0.07","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Heptafluorotolyl-closo-1,2-dicarbadodecaborane","1-(2',3',5',6'-Tetrafluoro-4'-trifluoromethylphenyl)-closo-1,2-dicarbadodecaborane","","- C9 H11 B10 F7 -","- C9 H11 B10 F7 -","- C36 H44 B40 F28 -","4","1","LH5894","Watson, James D.; Benton, Amanda; Tricas, Hugo; Rosair, Georgina M.; Welch, Alan J.","Crystal structure of 1-heptafluorotolyl-closo-1,2-dicarbadodecaborane","Acta Crystallographica Section E","2019","75","4","512","515","10.1107/S2056989019004067","","x-ray","0.71073","MoKα","","0.044","0.0387","","","0.0895","0.0919","","","","","","1.146","","","","has coordinates,has Fobs","214426","2020-10-21","18:00:00",""
"2242881","12.1612","0.0017","14.847","0.002","9.8265","0.0014","90","","90","","90","","1774.2","0.4","125","2","125","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-Nitro-2-(trifluoromethyl)benzoic acid","","- C8 H4 F3 N O4 -","- C8 H4 F3 N O4 -","- C64 H32 F24 N8 O32 -","8","1","PK2616","Diehl III, George L.; Je, Lisa; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2019","75","4","524","528","10.1107/S2056989019003979","","","0.71073","MoKα","","0.0569","0.0385","","","0.098","0.1085","","","","","","1.042","","","","has coordinates,has Fobs","214427","2020-10-21","18:00:00",""
"2242882","6.8986","0.0008","17.24","0.002","7.6912","0.0009","90","","107.685","0.002","90","","871.5","0.18","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitro-3-(trifluoromethyl)benzoic acid","","- C8 H4 F3 N O4 -","- C8 H4 F3 N O4 -","- C32 H16 F12 N4 O16 -","4","1","PK2616","Diehl III, George L.; Je, Lisa; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2019","75","4","524","528","10.1107/S2056989019003979","","","0.71073","MoKα","","0.0718","0.048","","","0.1379","0.1499","","","","","","1.052","","","","has coordinates,has Fobs","214427","2020-10-21","18:00:00",""
"2242883","34.229","0.004","11.1051","0.0012","9.2922","0.001","90","","96.526","0.005","90","","3509.2","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Memantine‒carboxyborane","3,5-Dimethyladamantanylamine‒boranecarboxylic acid","","- C13 H24 B N O2 -","- C13 H24 B N O2 -","- C104 H192 B8 N8 O16 -","8","1","HB7806","Ayudhya, Theppawut I.; Rheingold, Arnold L.; Dingra, Nin N.","Crystal structure of memantine‒carboxyborane","Acta Crystallographica Section E","2019","75","5","543","546","10.1107/S2056989019004092","","x-ray","0.71073","MoKα","","0.0817","0.0619","","","0.1424","0.1535","","","","","","1.04","","","","has coordinates,has Fobs","214463","2020-10-21","18:00:00",""
"2242884","29.625","0.0009","29.625","0.0009","10.2427","0.0004","90","","90","","90","","8989.4","0.5","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","4,5,6,7,8,8-Hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione","","- C19 H15 Cl6 N O4 -","- C19 H15 Cl6 N O4 -","- C304 H240 Cl96 N16 O64 -","16","","","Manohar, R.; Harikrishna, M.; Etti, S. Harikrishna; Ramanathan, C.; Gunasekaran, K.","Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent]","Acta Crystallographica Section E","2019","75","5","562","564","10.1107/S2056989019004109","","","0.71073","MoKα","","0.0781","0.0414","","","0.0914","0.1011","","","","","","1.038","","","","has coordinates,has Fobs","214464","2020-10-21","18:00:00",""
"2242885","9.8877","0.0006","12.1406","0.0007","14.576","0.0009","71.594","0.003","81.128","0.003","88.249","0.003","1640.06","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane-κ^4^N^1^,N^5^,N^8^,N^12^)copper(II) 4,4'-methylenebis(3-hydroxynaphthalene-2-carboxylate)","","- C33 H44 Cu N6 O8 -","- C33 H44 Cu N6 O8 -","- C66 H88 Cu2 N12 O16 -","2","1","HB7810","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate","Acta Crystallographica Section E","2019","75","5","533","536","10.1107/S2056989019003852","","","0.71073","MoKα","","0.0733","0.0397","","","0.0822","0.0896","","","","","","1.03","","","","has coordinates,has Fobs","214465","2020-10-21","18:00:00",""
"2242886","6.7221","0.0003","7.6279","0.0004","8.5181","0.0004","100.904","0.002","110.125","0.002","102.329","0.002","383.87","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-hydroxido-bis[triaqua(nitrato-κ^2^O,O')scandium(III)] dichloride","","- Cl2 H14 N2 O14 Sc2 -","- Cl2 H14 N2 O14 Sc2 -","- Cl2 H14 N2 O14 Sc2 -","1","0.5","HB4231","Sears, Jeremiah; Cramer, Roger; Boyle, Timothy","Crystal structure of hydroxy scandium nitrate chloride","Acta Crystallographica Section E","2019","75","5","540","542","10.1107/S2056989019003918","","","0.71073","MoKα","","0.0332","0.0238","","","0.053","0.0559","","","","","","1.04","","","","has coordinates,has Fobs","214466","2020-10-21","18:00:00",""
"2242887","10.993","0.008","13.198","0.01","23.799","0.019","90","","90","","90","","3453","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl)pyrrolidine-3-carbonyl]-5-(2-methylphenyl)pyrrolidine-2,4-dicarboxylate","","- C38 H50 N2 O7 -","- C38 H50 N2 O7 -","- C152 H200 N8 O28 -","4","1","EB2015","Ivantcova, Polina M.; Sokolov, Mikhail N.; Kudryavtsev, Konstantin V.; Churakov, Andrei V.","Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl)pyrrolidine-3-carbonyl]-5-(2-methylphenyl)pyrrolidine-2,4-dicarboxylate","Acta Crystallographica Section E","2019","75","5","537","539","10.1107/S2056989019004079","","","0.71073","MoKα","","0.1295","0.0599","","","0.0918","0.1129","","","","","","1.027","","","","has coordinates,has Fobs","214467","2020-10-21","18:00:00",""
"2242888","15.9049","0.0004","9.9047","0.0002","22.6734","0.0007","90","","94.315","0.002","90","","3561.69","0.16","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Decasodium octa-n-butanesulfonate di-μ-chlorido-bis[dichloridopalladate(II)] tetrahydrate","","- C32 H80 Cl6 Na10 O28 Pd2 S8 -","- C32 H80 Cl6 Na10 O28 Pd2 S8 -","- C64 H160 Cl12 Na20 O56 Pd4 S16 -","2","0.5","WM5491","Thoelen, Felix; Frank, Walter","Crystal engineering with short-chained amphiphiles: decasodium octa-n-butanesulfonate di-μ-chlorido-bis[dichloridopalladate(II)] tetrahydrate, a layered inorganic‒organic hybrid material","Acta Crystallographica Section E","2019","75","5","557","561","10.1107/S2056989019004201","","","0.71073","MoKα","","0.075","0.0617","","","0.0958","0.0987","","","","","","1.539","","","","has coordinates,has Fobs","214468","2020-10-21","18:00:00",""
"2242889","12.5954","0.0005","9.1549","0.0003","12.9614","0.0006","90","","101.547","0.003","90","","1464.33","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-Di-tert-butyl-2-chloro-1,3,2-diazaphosphorinane","1,3-Di-tert-butyl-2-chloro-1,3,2-diazaphosphinane","","- C11 H24 Cl N2 P -","- C11 H24 Cl N2 P -","- C44 H96 Cl4 N8 P4 -","4","1","PK2615","Mecke, Erik; Frank, Walter","Crystal structure of 1,3-di-tert-butyl-2-chloro-1,3,2-diazaphosphorinane {-} a saturated six-membered phosphorus nitrogen heterocycle with a partially flattened chair conformation and a long P^III^—Cl bond","Acta Crystallographica Section E","2019","75","5","552","556","10.1107/S2056989019004195","","","0.71073","MoKα","","0.0547","0.0484","","","0.1052","0.1089","","","","","","1.011","","","","has coordinates,has Fobs","214470","2020-10-21","18:00:00",""
"2242890","9.073","0.008","7.077","0.006","5.597","0.005","90","","105.894","0.01","90","","345.6","0.5","233","2","233.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,4-Dithiane 1,1,4,4-tetraoxide","","- C4 H8 O4 S2 -","- C4 H8 O4 S2 -","- C8 H16 O8 S4 -","2","0.25","JJ2210","Harlow, Richard L.; Oliver, Allen G.; Baker, Jonathan M.; Marshall, William J.; Sammes, Michael P.","Comparison of the C—H···O bonding in two crystalline phases of 1,4-dithiane 1,1,4,4-tetraoxide","Acta Crystallographica Section E","2019","75","5","576","579","10.1107/S2056989019004407","","","0.71073","MoKα","","0.0226","0.0225","","","0.0671","0.0672","","","","","","1.193","","","","has coordinates,has Fobs","214500","2020-10-21","18:00:00",""
"2242891","7.1308","0.0005","5.7245","0.0004","8.376","0.0006","90","","91.138","0.002","90","","341.84","0.04","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dithiane 1,1,4,4-tetraoxide","","- C4 H8 O4 S2 -","- C4 H8 O4 S2 -","- C8 H16 O8 S4 -","2","0.5","JJ2210","Harlow, Richard L.; Oliver, Allen G.; Baker, Jonathan M.; Marshall, William J.; Sammes, Michael P.","Comparison of the C—H···O bonding in two crystalline phases of 1,4-dithiane 1,1,4,4-tetraoxide","Acta Crystallographica Section E","2019","75","5","576","579","10.1107/S2056989019004407","","","0.7288","synchrotron","","0.0325","0.0281","","","0.0623","0.0648","","","","","","1.111","","","","has coordinates,has Fobs","214500","2020-10-21","18:00:00",""
"2242892","14.6474","0.0014","17.522","0.002","8.9048","0.0008","90","","90","","90","","2285.4","0.4","296","","296","","","","","","","","","5","I b a 2","I 2 -2c","45","","(E)-2-(2-Hydroxy-3-methylbenzylidene)-N-methylhydrazine-1-carbothioamide","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","NR2074","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook","(E)-2-(2-Hydroxy-3-methylbenzylidene)-N-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H···S and C—H···π interactions","Acta Crystallographica Section E","2019","75","5","571","575","10.1107/S2056989019004444","","","0.71073","MoKα","","0.0403","0.033","","","0.087","0.0935","","","","","","1.06","","","","has coordinates,has Fobs","214501","2020-10-21","18:00:00",""
"2242893","11.7007","0.0006","7.0419","0.0003","31.2567","0.0017","90","","98.379","0.005","90","","2547.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 5-methyl-4-(5-methyl-1H-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ide monohydrate","","- C28 H30 N8 O3 -","- C28 H30 N8 O3 -","- C112 H120 N32 O12 -","4","1","HB7813","Asiri, Abdullah M.; Alzahrani, Khalid A. H.; Faidallah, Hassan M.; Alamry, Khalid A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Co-crystallization of a neutral molecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 5-methyl-4-(5-methyl-1H-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ide monohydrate","Acta Crystallographica Section E","2019","75","5","565","570","10.1107/S2056989019004389","","","0.71073","MoKα","","0.0731","0.0516","","","0.1213","0.1371","","","","","","1.06","","","","has coordinates,has Fobs","214502","2020-10-21","18:00:00",""
"2242894","18.451","0.005","8.169","0.005","11.591","0.005","90","","100.059","0.005","90","","1720.2","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-[1-Hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Faizi, Md. Serajul Haque; Sen, Pratik; Saxena, Gyanesh Kumar; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of (E)-2-[1-hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol","Acta Crystallographica Section E","2019","75","5","600","603","10.1107/S2056989019004377","","","0.71073","MoKα","","0.0914","0.0448","","","0.0862","0.1002","","","","","","1.016","","","","has coordinates,has Fobs","214581","2020-10-21","18:00:00",""
"2242895","9.1943","0.0003","12.9081","0.0004","19.4486","0.0005","90","","90","","90","","2308.18","0.12","150","0.14","150","0.14","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Sodium 1-(trimethylammonio)undecachloro-closo-dodecaborate sulfur dioxide","","- C3 H9 B12 Cl11 N Na O2 S -","- C3 H9 B12 Cl11 N Na O2 S -","- C12 H36 B48 Cl44 N4 Na4 O8 S4 -","4","1","CQ2030","Jenne, Carsten; van Lessen, Valentin","Na^+^[Me~3~NB~12~Cl~11~]^{-^}·SO~2~: a rare example of a sodium‒SO~2~ complex","Acta Crystallographica Section E","2019","75","5","607","610","10.1107/S2056989019004663","","x-ray","0.71073","MoKα","","0.0368","0.031","","","0.0624","0.064","","","","","","1.039","","","","has coordinates,has Fobs","214582","2020-10-21","18:00:00",""
"2242896","8.2246","0.0002","15.1419","0.0004","8.6851","0.0002","90","","93.339","0.002","90","","1079.77","0.05","298","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^N,O^1^]\ chloridochromium(II) monohydrate","","- C14 H30 Cl Cr N3 O9 -","- C14 H30 Cl Cr N3 O9 -","- C28 H60 Cl2 Cr2 N6 O18 -","2","1","","Saidi, Meriem; Giorgi, Michel; Boukli-hacene, Leila","Sonochemical synthesis and crystal structure of dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^N,O^1^]chloridochromium(II) monohydrate","Acta Crystallographica Section E","2019","75","5","604","606","10.1107/S2056989019004717","","x-ray","1.54184","CuKα","","0.0533","0.0525","","","0.143","0.1459","","","","","","1.076","","","","has coordinates,has Fobs","214583","2020-10-21","18:00:00",""
"2242897","17.7734","0.0002","4.97864","0.00004","18.7681","0.0002","90","","114.226","0.0014","90","","1514.49","0.03","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-{N-[N-(tert-butoxycarbonyl)-L-α-aspartyl]-L-α-aspartyl}-L-α-aspartic acid 1^4^,2^4^,3^4^-trimethyl ester 3^1^-2-oxo-2-phenylethyl ester","","- C28 H37 N3 O13 -","- C28 H37 N3 O13 -","- C56 H74 N6 O26 -","2","1","IS5511","Kato, Takuma; Kishimoto, Saki; Asano, Akiko; Doi, Mitsunobu","Crystal structure of N-{N-[N-(tert-butoxycarbonyl)-L-α-aspartyl]-L-α-aspartyl}-L-α-aspartic acid 1^4^,2^4^,3^4^-trimethyl ester 3^1^-2-oxo-2-phenylethyl ester {Boc-[Asp(OMe)]~3~-OPac}","Acta Crystallographica Section E","2019","75","5","585","588","10.1107/S2056989019004596","","","1.54184","CuKα","","0.0266","0.0258","","","0.0716","0.0723","","","","","","0.766","","","","has coordinates,has disorder,has Fobs","214584","2020-10-21","18:00:00",""
"2242898","7.1314","0.0002","13.465","0.0003","15.4586","0.0004","106.533","0.001","97.98","0.001","102.843","0.001","1354.61","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate","","- C31 H31 N3 O5 S -","- C31 H31 N3 O5 S -","- C62 H62 N6 O10 S2 -","2","1","RZ5251","Gautier, Yohan; Maris, Thierry; Skene, W. G.","Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2019","75","5","589","592","10.1107/S2056989019003864","","x-ray","1.34139","GaKα","","0.037","0.0358","","","0.0954","0.0967","","","","","","1.047","","","","has coordinates,has Fobs","214585","2020-10-21","18:00:00",""
"2242899","18.4615","0.0008","12.8567","0.0005","7.9251","0.0004","90","","96.926","0.002","90","","1867.33","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2Z)-2-(2,4-Dichlorobenzylidene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one","","- C20 H16 Cl2 N2 O3 S -","- C20 H16 Cl2 N2 O3 S -","- C80 H64 Cl8 N8 O12 S4 -","4","1","LH5895","Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; El Ghayati, Lhoussaine; Bouzian, Younes; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(2,4-dichlorobenzylidene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2019","75","5","593","599","10.1107/S2056989019004250","","","1.54178","CuKα","","0.0399","0.0346","","","0.088","0.0926","","","","","","1.053","","","","has coordinates,has Fobs","214586","2020-10-21","18:00:00",""
"2242900","26.6755","0.0019","9.3259","0.0007","10.0405","0.0008","90","","99.56","0.004","90","","2463.1","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-Chloro-4-[2-(4-chlorophenyl)ethyl]benzene","","- C14 H12 Cl2 -","- C14 H12 Cl2 -","- C112 H96 Cl16 -","8","1","HB7814","Jotani, Mukesh M.; Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.","1-Chloro-4-[2-(4-chlorophenyl)ethyl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2019","75","5","623","630","10.1107/S2056989019004742","","","0.71073","MoKα","","0.0404","0.0329","","","0.0852","0.0897","","","","","","1.04","","","","has coordinates,has Fobs","214626","2020-10-21","18:00:00",""
"2242901","10.8761","0.0002","7.5157","0.0001","15.6131","0.0003","90","","106.177","0.001","90","","1225.71","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Bromo-4-[2-(4-chlorophenyl)ethyl]benzene","","- C14 H12 Br2 -","- C14 H12 Br2 -","- C56 H48 Br8 -","4","1","HB7814","Jotani, Mukesh M.; Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.","1-Chloro-4-[2-(4-chlorophenyl)ethyl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2019","75","5","623","630","10.1107/S2056989019004742","","","0.71073","MoKα","","0.038","0.0259","","","0.055","0.0583","","","","","","1.032","","","","has coordinates,has Fobs","214626","2020-10-21","18:00:00",""
"2242902","20.396","0.003","16.066","0.003","21.738","0.003","90","","90","","90","","7123","2","123","1","123","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate","","- C33 H40 N4 Ni3 O7 S3 -","- C33 H40 N4 Ni3 O7 S3 -","- C264 H320 N32 Ni24 O56 S24 -","8","1","EX2019","Rusanova, Julia A.; Kokozay, Vladimir N.; Pokas, Olena V.","Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate: crystal structure, spectroscopic characterization and antibacterial activity","Acta Crystallographica Section E","2019","75","5","615","618","10.1107/S2056989019004730","","","0.71073","MoKα","","0.084","0.0424","","","0.0956","0.1132","","","","","","0.996","","","","has coordinates,has Fobs","214627","2020-10-21","18:00:00",""
"2242903","10.2301","0.0002","15.2456","0.0003","21.5426","0.0005","90","","90","","90","","3359.87","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II))","","- C36 H40 N4 Ni2 O8 -","- C36 H40 N4 Ni2 O8 -","- C144 H160 N16 Ni8 O32 -","4","0.5","LH5898","Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Skelton, Brian W.","Crystal structure of bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II)) involving different coordination modes of the same Schiff base ligand","Acta Crystallographica Section E","2019","75","5","619","622","10.1107/S2056989019004766","","x-ray","0.71073","MoKα","","0.0574","0.0407","","","0.0793","0.0875","","","","","","1.026","","","","has coordinates,has Fobs","214628","2020-10-21","18:00:00",""
"2242904","18.2525","0.0004","7.07855","0.00016","11.2207","0.0002","90","","98.556","0.002","90","","1433.59","0.05","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole","","- C18 H19 F N2 O -","- C18 H19 F N2 O -","- C72 H76 F4 N8 O4 -","4","1","","Al-Wahaibi, Lamya H.; Alsfouk, Aisha; El-Emam, Ali A.; Blacque, Olivier","Crystal structures and Hirshfeld surface analysis of 2-(adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole and 2-(adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2019","75","5","611","615","10.1107/S2056989019004651","","x-ray","1.54184","CuKα","","0.0851","0.0798","","","0.2309","0.2331","","","","","","1.229","","","","has coordinates,has Fobs","214629","2020-10-21","18:00:00",""
"2242905","13.08241","0.00019","6.49259","0.00009","18.5129","0.0003","90","","105.561","0.0016","90","","1514.82","0.04","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Al-Wahaibi, Lamya H.; Alsfouk, Aisha; El-Emam, Ali A.; Blacque, Olivier","Crystal structures and Hirshfeld surface analysis of 2-(adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole and 2-(adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2019","75","5","611","615","10.1107/S2056989019004651","","x-ray","1.54184","CuKα","","0.0621","0.0607","","","0.1658","0.1669","","","","","","1.077","","","","has coordinates,has Fobs","214629","2020-10-21","18:00:00",""
"2242906","6.03","0.001","24.875","0.005","11.239","0.002","90","","114.249","0.002","90","","1537.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-([2,2'-bithiophen]-5-yl)prop-2-en-1-one","","- C18 H12 O3 S2 -","- C18 H12 O3 S2 -","- C72 H48 O12 S8 -","4","1","JJ2209","Anizaim, Ainizatul Husna; Zaini, Muhamad Fikri; Laruna, Muhammad Adlan; Razak, Ibrahim Abdul; Arshad, Suhana","(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-([2,2'-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV‒Vis analysis and theoretical studies of a new π-conjugated chalcone","Acta Crystallographica Section E","2019","75","5","632","637","10.1107/S2056989019004912","","","0.71073","MoKα","","0.0911","0.0583","","","0.142","0.1635","","","","","","1.038","","","","has coordinates,has Fobs","214652","2020-10-21","18:00:00",""
"2242907","6.5227","0.0003","7.8979","0.0004","30.7774","0.0015","90","","95.389","0.002","90","","1578.51","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C76 H64 N16 O4 -","4","1","WM5499","El Hafi, Mohamed; Kansiz, Sevgi; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine","Acta Crystallographica Section E","2019","75","5","638","641","10.1107/S2056989019004894","","","1.54178","CuKα","","0.0471","0.0389","","","0.0865","0.0913","","","","","","1.056","","","","has coordinates,has Fobs","214653","2020-10-21","18:00:00",""
"2242908","11.5504","0.0007","13.8047","0.0007","22.3899","0.0012","90","","90","","90","","3570.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","WM5490","Faizi, Md. Serajul Haque; Kamaal, Saima; Ali, Arif; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of 4-(2-hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate","Acta Crystallographica Section E","2019","75","5","646","649","10.1107/S2056989019005103","","","0.71073","MoKα","","0.0706","0.044","","","0.0947","0.1131","","","","","","1.05","","","","has coordinates,has Fobs","214702","2020-10-21","18:00:00",""
"2242909","11.225","0.0006","7.2547","0.0005","11.1397","0.0006","90","","100.978","0.005","90","","890.55","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-[(Ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide)","","- C18 H18 N4 O2 S2 -","- C18 H18 N4 O2 S2 -","- C36 H36 N8 O4 S4 -","2","0.5","VM2216","Samb, Issa; Gaye, Nango; Sylla-Gueye, Rokhaya; Thiam, Elhadj Ibrahima; Gaye, Mohamed; Retailleau, Pascal","Crystal structure of N,N'-[(ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide)","Acta Crystallographica Section E","2019","75","5","642","645","10.1107/S205698901900495X","","x-ray","0.71073","MoKα","","0.0491","0.0416","","","0.1153","0.1209","","","","","","1.053","","","","has coordinates,has Fobs","214703","2020-10-21","18:00:00",""
"2242910","5.8511","0.0006","12.5544","0.0015","21.069","0.002","90","","92.666","0.008","90","","1546","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,6-Dichlorobenzyl)-6-phenylpyridazin-3(2H)-one","","- C17 H12 Cl2 N2 O -","- C17 H12 Cl2 N2 O -","- C68 H48 Cl8 N8 O4 -","4","1","DX2016","El Kali, Fouad; Kansiz, Sevgi; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-phenylpyridazin-3(2H)-one","Acta Crystallographica Section E","2019","75","5","650","654","10.1107/S2056989019005139","","","0.71073","MoKα","","0.1593","0.0561","","","0.0732","0.0943","","","","","","0.882","","","","has coordinates,has Fobs","214704","2020-10-21","18:00:00",""
"2242911","8.0599","0.0003","8.6086","0.0004","12.7608","0.0005","96.548","0.002","92.518","0.002","111.065","0.002","817.39","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(E)-3-[(4-Fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","","- C16 H15 Br F N3 S -","- C16 H15 Br F N3 S -","- C32 H30 Br2 F2 N6 S2 -","2","1","RZ5254","Khalilov, Ali N.; Atioğlu, Zeliha; Akkurt, Mehmet; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Huseynova, Afet T.","Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2019","75","5","662","666","10.1107/S2056989019004973","","","0.71073","MoKα","","0.0396","0.0285","","","0.0721","0.0769","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","214746","2020-10-21","18:00:00",""
"2242912","7.8218","0.0007","8.4207","0.0006","12.3402","0.0011","99.838","0.007","95.771","0.007","96.515","0.007","789.67","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","rac-2-[2-(4-Chlorophenyl)-3,4-dihydro-2H-1-benzopyran-4-ylidene]hydrazine-1-carbothioamide","","- C16 H14 Cl N3 O S -","- C16 H14 Cl N3 O S -","- C32 H28 Cl2 N6 O2 S2 -","2","1","ZP2036","Zatsu, Ruokuosenuo; Maddela, Prabhakar; Indira Devi, M.; Singh, Ranjit; Pradeep, Chullikkattil P.","Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran-4-ylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E","2019","75","5","707","710","10.1107/S2056989019005073","","","1.54184","CuKα","","0.0488","0.0422","","","0.1133","0.1207","","","","","","1.046","","","","has coordinates,has Fobs","214789","2020-10-21","18:00:00",""
"2242913","8.0971","0.0006","12.6116","0.001","8.7325","0.0007","90","","114.975","0.001","90","","808.36","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1H-Pyridine-2-selenenyl dibromide","Dibromo(pyridin-1-ium-2-yl)selanide","","- C5 H5 Br2 N Se -","- C5 H5 Br2 N Se -","- C20 H20 Br8 N4 Se4 -","4","1","YK2121","Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Naumov, Vladimir I.; Borisova, Galina N.; Osmanov, Vladimir K.; Borisov, Alexander V.; Grishina, Maria M.; Khrustalev, Victor N.","Bromination of bis(pyridin-2-yl) diselenide in methylene chloride: the reaction mechanism and crystal structures of 1H-pyridine-2-selenenyl dibromide and its cycloadduct with cyclopentene (3aSR,9aRS)-2,3,3a,9a-tetrahydro-1H-cyclopenta[4,5][1,3]selenazolo[3,2-a]pyridinium bromide","Acta Crystallographica Section E","2019","75","5","675","679","10.1107/S2056989019004997","","","0.71073","MoKα","","0.0433","0.0317","","","0.0701","0.074","","","","","","1.032","","","","has coordinates,has Fobs","214790","2020-10-21","18:00:00",""
"2242914","6.3333","0.0005","9.0515","0.0007","9.5807","0.0007","111.35","0.001","93.657","0.002","93.543","0.001","508.35","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(3aSR,9aRS)-2,3,3a,9a-Tetrahydro-1H-cyclopenta[4,5]\ [1,3]selenazolo[3,2-a]pyridinium bromide","7-Selena-1λ^5^-azatricyclo[6.4.0.0^2,6^]dodeca-1(12),8,10-trien-1-ylium bromide","","- C10 H12 Br N Se -","- C10 H12 Br N Se -","- C20 H24 Br2 N2 Se2 -","2","1","YK2121","Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Naumov, Vladimir I.; Borisova, Galina N.; Osmanov, Vladimir K.; Borisov, Alexander V.; Grishina, Maria M.; Khrustalev, Victor N.","Bromination of bis(pyridin-2-yl) diselenide in methylene chloride: the reaction mechanism and crystal structures of 1H-pyridine-2-selenenyl dibromide and its cycloadduct with cyclopentene (3aSR,9aRS)-2,3,3a,9a-tetrahydro-1H-cyclopenta[4,5][1,3]selenazolo[3,2-a]pyridinium bromide","Acta Crystallographica Section E","2019","75","5","675","679","10.1107/S2056989019004997","","","0.71073","MoKα","","0.0376","0.0302","","","0.0772","0.0803","","","","","","1.056","","","","has coordinates,has Fobs","214790","2020-10-21","18:00:00",""
"2242915","10.8204","0.001","3.9364","0.0003","40.42","0.003","90","","97.651","0.003","90","","1706.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-(Anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C92 H60 N4 O12 -","4","1","","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana","Crystal structure and optical properties of fused-ring chalcone (E)-3-(anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","5","685","689","10.1107/S2056989019005243","","","0.71073","MoKα","","0.1154","0.0737","","","0.1638","0.1784","","","","","","1.091","","","","has coordinates,has Fobs","214791","2020-10-21","18:00:00",""
"2242916","13.2989","0.0011","12.7097","0.0007","23.33","0.0016","90","","93.727","0.006","90","","3935","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","10,10'-Oxybis(9-thia-10-hydro-10-boraanthracene)","","- C24 H16 B2 O S2 -","- C24 H16 B2 O S2 -","- C192 H128 B16 O8 S16 -","8","4","LH5900","Radtke, Julian; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism and pseudosymmetry of 10,10'-oxybis(9-thia-10-hydro-10-boraanthracene)","Acta Crystallographica Section E","2019","75","5","690","694","10.1107/S205698901900522X","","","0.71073","MoKα","","0.0581","0.045","","","0.0779","0.0816","","","","","","0.899","","","","has coordinates,has Fobs","214792","2020-10-21","18:00:00",""
"2242917","23.2471","0.0018","12.5949","0.0016","13.3561","0.0011","90","","92.217","0.006","90","","3907.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,10'-Oxybis(9-thia-10-hydro-10-boraanthracene)","","- C24 H16 B2 O S2 -","- C24 H16 B2 O S2 -","- C192 H128 B16 O8 S16 -","8","2","LH5900","Radtke, Julian; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism and pseudosymmetry of 10,10'-oxybis(9-thia-10-hydro-10-boraanthracene)","Acta Crystallographica Section E","2019","75","5","690","694","10.1107/S205698901900522X","","","0.71073","MoKα","","0.1765","0.0788","","","0.1461","0.1835","","","","","","0.864","","","","has coordinates,has Fobs","214792","2020-10-21","18:00:00",""
"2242918","38.972","0.002","7.5746","0.0004","20.8208","0.0012","90","","116.551","0.002","90","","5498","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,6-diaminopyridinium) bis(oxalato)dioxidovanadate(V) 2.5-hydrate","","- C19 H29 N9 O12.5 V -","- C19 H29 N9 O12.5 V -","- C152 H232 N72 O100 V8 -","8","1","","Sehimi, Hiba; Akitsu, Takashiro; Zid, Mohamed Faouzi","Synthesis and structural study of tris(2,6-diaminopyridinium) bis(oxalato)dioxidovanadate(V) 2.5-hydrate","Acta Crystallographica Section E","2019","75","5","680","684","10.1107/S2056989019005267","","","0.71073","MoKα","","0.0341","0.0315","","","0.0851","0.0868","","","","","","1.1","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242919","5.4252","0.0015","9.83","0.003","11.137","0.003","74.636","0.005","83.418","0.005","80.255","0.005","562.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4-{(E)-3-[(Imino-λ^5^-azanylidene)amino]prop-1-enyl}-N,N-dimethylimidazole-1-sulfonamide","","- C8 H12 N6 O2 S -","- C8 H12 N6 O2 S -","- C16 H24 N12 O4 S2 -","2","1","ZL2753","Cruz, Lorenzo M.; Moore, Raakiyah Y.; Gutierrez, Marcela Torres; Herath, Apsara K.; Lovely, Carl J.; Yousufuddin, Muhammed","Crystal structures of 4-{(E)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-N,N-dimethylimidazole-1-sulfonamide and 2-[(imino-λ^5^-azanylidene)amino]-4-{(E)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-N,N-dimethylimidazole-1-sulfonamide","Acta Crystallographica Section E","2019","75","5","695","699","10.1107/S205698901900519X","","","0.71073","MoKα","","0.0534","0.0387","","","0.0968","0.104","","","","","","1.009","","","","has coordinates,has Fobs","214794","2020-10-21","18:00:00",""
"2242920","6.6151","0.0018","9.563","0.003","11.634","0.003","108.645","0.004","105.994","0.004","93.828","0.004","660.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[(Imino-λ^5^-azanylidene)amino]-4-{(E)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-N,N-dimethylimidazole-1-sulfonamide","","- C8 H11 N9 O2 S -","- C8 H11 N9 O2 S -","- C16 H22 N18 O4 S2 -","2","1","","Cruz, Lorenzo M.; Moore, Raakiyah Y.; Gutierrez, Marcela Torres; Herath, Apsara K.; Lovely, Carl J.; Yousufuddin, Muhammed","Crystal structures of 4-{(E)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-N,N-dimethylimidazole-1-sulfonamide and 2-[(imino-λ^5^-azanylidene)amino]-4-{(E)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-N,N-dimethylimidazole-1-sulfonamide","Acta Crystallographica Section E","2019","75","5","695","699","10.1107/S205698901900519X","","","0.71073","MoKα","","0.0622","0.0428","","","0.1014","0.1094","","","","","","1.072","","","","has coordinates,has Fobs","214794","2020-10-21","18:00:00",""
"2242921","7.85","0.0006","9.833","0.0008","6.754","0.0006","90","","90.202","0.004","90","","521.33","0.07","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","BR4TN","2,3,5,6-Tetrabromoterephthalonitrile","","- C8 Br4 N2 -","- C8 Br4 N2 -","- C16 Br8 N4 -","2","0.25","HB7811","Noland, Wayland E.; Schneerer, Andrew K.; Raberge, Emilie J.; Tritch, Kenneth J.","Crystal structure of 2,3,5,6-tetrabromoterephthalodinitrile","Acta Crystallographica Section E","2019","75","5","703","706","10.1107/S2056989019005486","","","0.71073","MoKα","","0.0324","0.0286","","","0.0705","0.0723","","","","","","1.042","","","","has coordinates,has Fobs","214795","2020-10-21","18:00:00",""
"2242922","7.2288","0.0014","6.8265","0.0014","23.922","0.005","90","","98.69","0.03","90","","1166.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C40 H48 N16 O12 -","4","1","EX2020","Moreira, Olívia B. O.; Freitas, Maria Clara R.; Souza, Karynne C.; Jordão, Alessandro K.; Resende, Jackson A. L. C.","Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate","Acta Crystallographica Section E","2019","75","6","738","741","10.1107/S2056989019005711","","","0.71073","MoKα","","0.0718","0.0412","","","0.0876","0.0997","","","","","","1.037","","","","has coordinates,has Fobs","214935","2020-10-21","18:00:00",""
"2242923","18.8247","0.0003","13.885","0.0002","22.2056","0.0004","90","","109.413","0.002","90","","5474.14","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Potassium chloridotris(hypersiloxy)aluminate dimer","Di-μ~3~-chlorido-bis[μ~2~-tris(trimethylsilyl)silanolato]tetrakis[tris(trimethylsilyl)silanolato]dialuminiumdipotassium","","- C54 H162 Al2 Cl2 K2 O6 Si24 -","- C54 H162 Al2 Cl2 K2 O6 Si24 -","- C108 H324 Al4 Cl4 K4 O12 Si48 -","2","0.5","NK2251","Purdy, Andrew P.; Butcher, Raymond J.","Potassium chloridotris(hypersiloxy)aluminate dimer","Acta Crystallographica Section E","2019","75","6","714","716","10.1107/S2056989019005310","","","1.54184","CuKα","","0.0521","0.0418","","","0.1075","0.1168","","","","","","1.039","","","","has coordinates,has Fobs","214936","2020-10-21","18:00:00",""
"2242924","11.9736","0.0005","6.8854","0.0004","12.2746","0.0005","90","","92.938","0.004","90","","1010.63","0.08","110","","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[(6-Chloro-7H-purin-7-yl)methyl]cyclobutan-1-one","","- C10 H9 Cl N4 O -","- C10 H9 Cl N4 O -","- C40 H36 Cl4 N16 O4 -","4","1","ZP2033","Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F.","Crystal structures of the synthetic intermediate 3-[(6-chloro-7H-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7H-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9H-purin-9-yl)methyl]cyclobutan-1-ol","Acta Crystallographica Section E","2019","75","6","732","737","10.1107/S2056989019004432","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1066","0.111","","","","","","1.07","","","","has coordinates,has Fobs","214938","2020-10-21","18:00:00",""
"2242925","6.1101","0.0004","8.6075","0.0005","11.0083","0.0007","68.957","0.006","83.799","0.005","87.189","0.005","537.15","0.06","110","","110","2","","","","","","","","5","P -1","-P 1","2","","3-[(6-Chloro-8,9-dihydro-7H-purin-7-yl)methyl]cyclobutan-1-ol","","- C10 H13 Cl N4 O -","- C10 H13 Cl N4 O -","- C20 H26 Cl2 N8 O2 -","2","1","ZP2033","Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F.","Crystal structures of the synthetic intermediate 3-[(6-chloro-7H-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7H-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9H-purin-9-yl)methyl]cyclobutan-1-ol","Acta Crystallographica Section E","2019","75","6","732","737","10.1107/S2056989019004432","","","1.54184","CuKα","","0.0401","0.0371","","","0.0952","0.098","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","214938","2020-10-21","18:00:00",""
"2242926","12.7276","0.0008","5.9725","0.0004","14.819","0.001","90","","108.25","0.003","90","","1069.81","0.12","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(6-Chloro-9H-purin-9-yl)methyl]cyclobutan-1-ol","","- C10 H11 Cl N4 O -","- C10 H11 Cl N4 O -","- C40 H44 Cl4 N16 O4 -","4","1","ZP2033","Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F.","Crystal structures of the synthetic intermediate 3-[(6-chloro-7H-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7H-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9H-purin-9-yl)methyl]cyclobutan-1-ol","Acta Crystallographica Section E","2019","75","6","732","737","10.1107/S2056989019004432","","x-ray","1.54178","CuKα","","0.044","0.0378","","","0.0944","0.1029","","","","","","0.94","","","","has coordinates","214938","2020-10-21","18:00:00",""
"2242927","4.7724","0.0006","14.4069","0.0017","15.6857","0.0019","90","","98.393","0.002","90","","1066.9","0.2","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Ascorbic acid‒4,4'-bipyridine (1/1)","","- C22 H24 N2 O12 -","- C22 H24 N2 O12 -","- C44 H48 N4 O24 -","2","1","EB2018","Sylvester, Eric; McGovern, Mitchell; Young Lee, An; Nguyen, Phanxico; Park, Jungeun; Benedict, Jason B.","Partial charge transfer in the salt co-crystal of L-ascorbic acid and 4,4'-bipyridine","Acta Crystallographica Section E","2019","75","6","728","731","10.1107/S2056989019005334","","x-ray","0.71073","MoKα","","0.0472","0.0396","","","0.095","0.0994","","","","","","1.0607","","","","has coordinates,has disorder","214939","2020-10-21","18:00:00",""
"2242928","6.5687","0.0006","7.9971","0.0007","15.4939","0.0013","98.105","0.004","94.316","0.004","95.002","0.004","799.54","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","3-{(2Z)-2-[(2,4-Dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}propanenitrile","","- C18 H12 Cl2 N2 O S -","- C18 H12 Cl2 N2 O S -","- C36 H24 Cl4 N4 O2 S2 -","2","1","LH5901","Sebbar, Nada Kheira; Hni, Brahim; Hökelek, Tuncer; Jaouhar, Abdelhakim; Labd Taha, Mohamed; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 3-{(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}propanenitrile","Acta Crystallographica Section E","2019","75","6","721","727","10.1107/S2056989019005966","","","1.54178","CuKα","","0.0385","0.0353","","","0.0926","0.0952","","","","","","1.059","","","","has coordinates,has Fobs","214940","2020-10-21","18:00:00",""
"2242929","17.413","0.0006","7.5325","0.0003","18.5443","0.0006","90","","94.567","0.001","90","","2424.61","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(5-Iodo-4-phenylthiazol-2-yl)acetamide","","- C11 H9 I N2 O S -","- C11 H9 I N2 O S -","- C88 H72 I8 N16 O8 S8 -","8","2","LH5897","Herrera-España, Angel D.; Aguilera-González, Jesús; Mena-Rejón, Gonzalo J.; Hernández-Ortega, Simón; Cáceres-Castillo, David","Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenylthiazol-2-yl)acetamide","Acta Crystallographica Section E","2019","75","6","717","720","10.1107/S2056989019004791","","","0.71073","MoKα","","0.0323","0.0289","","","0.0707","0.0734","","","","","","1.116","","","","has coordinates,has Fobs","214941","2020-10-21","18:00:00",""
"2242930","4.9409","0.0004","39.015","0.003","5.8447","0.0004","90","","100.905","0.003","90","","1106.33","0.15","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-[(Ethyne-1,2-diyl)bis(1,4-phenylenecarbonyl)]bis(L-alaninate)","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","1","ZP2034","Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin","Crystal structure of dimethyl N,N'-[(ethyne-1,2-diyl)bis(1,4-phenylenecarbonyl)]bis(L-alaninate)","Acta Crystallographica Section E","2019","75","6","751","754","10.1107/S2056989019005826","","","0.71073","MoKα","","0.0785","0.0545","","","0.1143","0.1247","","","","","","1.004","","","","has coordinates,has Fobs","215129","2020-10-21","18:00:00",""
"2242931","11.5047","0.0009","23.41","0.003","13.4115","0.0011","90","","104.305","0.008","90","","3500.1","0.6","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(quinolin-8-yl)pyrazine-2-carboxamide","","- C14 H10 N4 O -","- C14 H10 N4 O -","- C168 H120 N48 O12 -","12","3","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of the ligand N-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetranuclear copper(II) complex","Acta Crystallographica Section E","2019","75","6","755","761","10.1107/S2056989019005450","","","0.71073","MoKα","","0.1014","0.0594","","","0.1095","0.1335","","","","","","1.165","","","","has coordinates,has Fobs","215130","2020-10-21","18:00:00",""
"2242932","8.1485","0.0007","11.2132","0.0009","14.2662","0.0012","98.352","0.009","93.668","0.01","103.578","0.009","1247.11","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Hexa-μ-acetato-1:2κ^2^O:O';2:3κ^8^O:O'; 3:4κ^2^O:O'-dimethanol-1κO,2κO-bis[N-(quinolin-8-yl)pyrazine-2-carboxamide]-1κ^3^N,N',N''; 4κ^3^N,N',N''-tetracopper(II) methanol disolvate","","- C44 H52 Cu4 N8 O18 -","- C44 H52 Cu4 N8 O18 -","- C44 H52 Cu4 N8 O18 -","1","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of the ligand N-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetranuclear copper(II) complex","Acta Crystallographica Section E","2019","75","6","755","761","10.1107/S2056989019005450","","","0.71073","MoKα","","0.0359","0.031","","","0.0814","0.0833","","","","","","0.978","","","","has coordinates,has Fobs","215130","2020-10-21","18:00:00",""
"2242933","17.592","0.0002","14.0777","0.0003","5.7956","0.0001","90","","98.742","0.001","90","","1418.63","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E,4E)-1,5-Bis(4-bromophenyl)penta-1,4-dien-3-one","","- C17 H12 Br2 O -","- C17 H12 Br2 O -","- C68 H48 Br8 O4 -","4","1","HB7821","Arif Tawfeeq, Nabeel; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ravoof, Thahira B. S. A.","Crystal structure and Hirshfeld surface analysis of a conformationally unsymmetrical bischalcone: (1E,4E)-1,5-bis(4-bromophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2019","75","6","774","779","10.1107/S2056989019006480","","","1.54178","CuKα","","0.0242","0.0224","","","0.0551","0.0558","","","","","","1.154","","","","has coordinates,has Fobs","215131","2020-10-21","18:00:00",""
"2242934","8.728","0.002","8.757","0.002","12.094","0.003","77.768","0.019","80.822","0.019","61.929","0.018","795.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(E)-2-(2,4,6-Trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one","","- C20 H20 O -","- C20 H20 O -","- C40 H40 O2 -","2","1","WM5495","Baydere, Cemile; Taşçı, Merve; Dege, Necmi; Arslan, Mustafa; Atalay, Yusuf; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one","Acta Crystallographica Section E","2019","75","6","746","750","10.1107/S2056989019006182","","","0.71073","MoKα","","0.1695","0.0614","","","0.121","0.155","","","","","","0.906","","","","has coordinates,has Fobs","215132","2020-10-21","18:00:00",""
"2242935","12.0614","0.0011","9.696","0.0006","26.688","0.002","90","","99.619","0.007","90","","3077.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-2-Chloro-5-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}phenol acetonitrile hemisolvate","","- C14 H10.5 Cl N4.5 O5 -","- C14 H10.5 Cl N4.5 O5 -","- C112 H84 Cl8 N36 O40 -","8","1","","Dege, Necmi; Faizi, Md. Serajul Haque; Doğan, Onur Erman; Ağar, Erbil; Golenya, Irina A.","Crystal structure and DFT study of (E)-2-chloro-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}phenol acetonitrile hemisolvate","Acta Crystallographica Section E","2019","75","6","770","773","10.1107/S205698901900642X","","","0.71073","MoKα","","0.1402","0.0574","","","0.1115","0.1366","","","","","","0.93","","","","has coordinates,has Fobs","215133","2020-10-21","18:00:00",""
"2242936","20.9154","0.0011","11.4208","0.0006","8.8938","0.0006","90","","90","","90","","2124.5","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-[4-(1H-Benzo[d]imidazole-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate","","- C23 H18 N4 O2 S -","- C23 H18 N4 O2 S -","- C92 H72 N16 O8 S4 -","4","1","WM5496","Demir Kanmazalp, Sibel; Şen, Pınar; Dege, Necmi; Yildiz, Salih Zeki; Ozdemir, Namık; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of 4-[4-(1H-benzo[d]imidazol-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2019","75","6","780","784","10.1107/S2056989019006510","","","0.71073","MoKα","","0.101","0.0421","","","0.084","0.0976","","","","","","0.833","","","","has coordinates,has disorder,has Fobs","215134","2020-10-21","18:00:00",""
"2242937","9.32","0.003","9.974","0.003","12.949","0.005","90","","109.71","0.013","90","","1133.2","0.7","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate]","","- C21 H20 Cl Cu N5 O6 -","- C21 H20 Cl Cu N5 O6 -","- C42 H40 Cl2 Cu2 N10 O12 -","2","1","ZL2754","Cioncoloni, Giacomo; Wilson, Claire; Roger, Isolda; Symes, Mark D.","Crystal structure of catena-poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate]","Acta Crystallographica Section E","2019","75","6","789","793","10.1107/S2056989019006285","","","0.71073","MoKα","","0.0838","0.0584","","","0.1329","0.1466","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","215172","2020-10-21","18:00:00",""
"2242938","11.3954","0.0019","11.746","0.002","10.3067","0.0017","90","","115.94","0.012","90","","1240.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-[(2-Hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","WM5504","Kansiz, Sevgi; Aydin, Alev Sema; Dege, Necmi; Agar, Erbil; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of (Z)-6-[(2-hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2019","75","6","785","788","10.1107/S2056989019006583","","","0.71073","MoKα","","0.1368","0.0643","","","0.13","0.1564","","","","","","0.987","","","","has coordinates,has Fobs","215173","2020-10-21","18:00:00",""
"2242939","7.1153","0.0004","11.0075","0.0006","18.2771","0.001","90","","105.766","0.005","90","","1377.64","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(3-Hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","RZ5252","Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Balasubramani, Kasthuri; Premkumar, Ganesan; Swu, Toka","Crystal structure, Hirshfeld surface analysis and HOMO‒LUMO analysis of (E)-N'-(3-hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate","Acta Crystallographica Section E","2019","75","6","804","807","10.1107/S2056989019006492","","","0.71073","MoKα","","0.0494","0.0362","","","0.0905","0.1006","","","","","","1.04","","","","has coordinates,has Fobs","215174","2020-10-21","18:00:00",""
"2242940","18.0683","0.0013","8.019","0.0006","9.8513","0.0005","90","","90","","90","","1427.35","0.16","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one","","- C15 H13 Br O2 S -","- C15 H13 Br O2 S -","- C60 H52 Br4 O8 S4 -","4","1","HB7825","Caracelli, Ignez; Zukerman-Schpector, Julio; Traesel, Henrique J.; Olivato, Paulo R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2019","75","6","816","822","10.1107/S2056989019006765","","","0.71073","MoKα","","0.0728","0.0354","","","0.0732","0.0863","","","","","","0.902","","","","has coordinates,has Fobs","215247","2020-10-21","18:00:00",""
"2242941","7.154","0.0006","8.2591","0.0006","10.4459","0.0008","108.502","0.002","97.499","0.002","94.512","0.002","575.54","0.08","100","","100","","","","","","","","synthesised by authors, see text","6","P 1","P 1","1","","Di-μ-chlorido-bis[dichlorido(L-histidinium-κO)cadmium(II)]","","- C12 H20 Cd2 Cl6 N6 O4 -","- C12 H20 Cd2 Cl6 N6 O4 -","- C12 H20 Cd2 Cl6 N6 O4 -","1","1","","Mohamedi, Nacira; Elleuch, Slim; Boufas, Sihem; Legouira, Messaoud; Djazi, Faiçal","Crystal structure of di-μ-chlorido-bis[dichlorido(L-histidinium-κO)cadmium(II)]","Acta Crystallographica Section E","2019","75","6","823","825","10.1107/S205698901900690X","","","0.71073","MoKα","","0.0238","0.0235","","","0.0563","0.0565","","","","","","1.082","","","","has coordinates,has Fobs","215248","2020-10-21","18:00:00",""
"2242942","6.0052","0.0004","7.8206","0.0005","26.2985","0.0019","90","","90.303","0.005","90","","1235.07","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-6-[(2-Hydroxy-5-nitroanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","YK2122","Kansiz, Sevgi; Dege, Necmi; Aydin, Alev Sema; Ağar, Erbil; Matushko, Igor P.","Crystal structure and Hirshfeld surface analysis of (Z)-6-[(2-hydroxy-5-nitroanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2019","75","6","812","815","10.1107/S205698901900673X","","","0.71073","MoKα","","0.0574","0.0413","","","0.1153","0.1212","","","","","","1.078","","","","has coordinates,has Fobs","215249","2020-10-21","18:00:00",""
"2242943","29.23","0.017","5.8","0.003","22.071","0.012","90","","107.248","0.017","90","","3574","3","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1,3-diphenyl-6-(3-methylphenyl)fulvene","{3-[(3-Methylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C25 H20 -","- C25 H20 -","- C200 H160 -","8","1","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0639","0.0477","","","0.1111","0.1219","","","","","","1.045","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2242944","19.208","0.002","5.8774","0.0007","16.1884","0.0018","90","","107.71","0.001","90","","1740.9","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-diphenyl-6-(4-methylphenyl)fulvene","{3-[(4-Methylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C25 H20 -","- C25 H20 -","- C100 H80 -","4","1","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0477","0.0397","","","0.0932","0.1003","","","","","","1.04","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2242945","30.031","0.006","5.6147","0.0012","23.494","0.005","90","","90","","90","","3961.4","1.4","100","","100","","","","","","","","","2","P c a 21","P 2c -2ac","29","1,3-diphenyl-6-mesitylfulvene","{3-[(2,4,6-Trimethylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C27 H24 -","- C27 H24 -","- C216 H192 -","8","2","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0567","0.043","","","0.0984","0.1083","","","","","","1.035","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2242946","30.987","0.007","5.8273","0.0014","23.557","0.006","90","","96.192","0.003","90","","4228.9","1.8","100","2","100.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1,3-diphenyl-6-(2,3,4,5,6-pentamethylphenyl)fulvene","{3-[(2,3,4,5,6-Pentamethylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C29 H28 -","- C29 H28 -","- C232 H224 -","8","1","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0769","0.0501","","","0.1182","0.1369","","","","","","1.032","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2242947","9.5115","0.0007","18.7385","0.0019","10.0216","0.0008","90","","90","","90","","1786.2","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-Methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","MW2145","Yaman, Mavise; Dege, Necmi; Ayoob, Mzgin M.; Hussein, Awaz J.; Samad, Mohammed K.; Fritsky, Igor O.","Hirshfeld surface analysis and crystal structure of N-(2-methoxyphenyl)acetamide","Acta Crystallographica Section E","2019","75","6","830","833","10.1107/S2056989019006972","","","0.71073","MoKα","","0.0807","0.0496","","","0.1306","0.1476","","","","","","1.048","","","","has coordinates,has Fobs","215395","2020-10-21","18:00:00",""
"2242948","8.575","0.002","10.746","0.003","9.798","0.003","90","","101.811","0.003","90","","883.7","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenylbutyramide","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","YK2123","Rigin, Sergei; Armijo, Beatrice; Krivoshein, Arcadius V.; Fonari, Marina; Timofeeva, Tatiana","Crystal structure and Hirshfeld surface analysis of new polymorph of racemic 2-phenylbutyramide","Acta Crystallographica Section E","2019","75","6","826","829","10.1107/S2056989019007011","","","0.71073","MoKα","","0.0474","0.0398","","","0.1044","0.1097","","","","","","1.084","","","","has coordinates,has Fobs","215396","2020-10-21","18:00:00",""
"2242949","15.314","0.007","15.314","0.007","25.736","0.012","90","","90","","90","","6036","5","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","(RS)-7-Chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C256 H240 Cl16 N32 O48 -","16","","ZL2756","Narasimhamurthy, Kereyagalahally H.; Chandra; Sagar, Belakavadi K.; Rangappa, Kanchugarakoppal S.; Yathirajan, Hemmige S.; Glidewell, Christopher","The crystal structure of (RS)-7-chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one: two hydrogen bonds generate an elegant three-dimensional framework structure","Acta Crystallographica Section E","2019","75","6","843","847","10.1107/S2056989019007023","","","0.71073","MoKα","","0.1016","0.0485","","","0.1065","0.1282","","","","","","1.035","","","","has coordinates,has Fobs","215397","2020-10-21","18:00:00",""
"2242950","15.582","0.0005","20.0517","0.0007","23.3082","0.0008","90","","90","","90","","7282.5","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N,N'-Ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazine-1-ylidene]pentane-2,4-dione (1/1)","","- C35 H35 Cu N11 O10 -","- C35 H35 Cu N11 O10 -","- C280 H280 Cu8 N88 O80 -","8","1","YK2120","Marten, Jan; Seichter, Wilhelm; Weber, Edwin","Crystal structure of (N,N'-ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione (1/1)","Acta Crystallographica Section E","2019","75","6","834","837","10.1107/S2056989019005838","","","0.71073","MoKα","","0.0875","0.0466","","","0.1116","0.1298","","","","","","0.955","","","","has coordinates,has Fobs","215398","2020-10-21","18:00:00",""
"2242951","9.442","0.0016","9.558","0.003","11.419","0.002","110.58","0.02","95.669","0.019","108.863","0.019","886.3","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C38 H36 N4 O12 -","2","1","DX2017","Diana, Rosita; Tuzi, Angela; Panunzi, Barbara; Carella, Antonio; Caruso, Ugo","Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate","Acta Crystallographica Section E","2019","75","6","880","887","10.1107/S205698901900728X","","x-ray","0.71073","MoKα","","0.2174","0.0932","","","0.1918","0.2363","","","","","","1.212","","","","has coordinates,has disorder,has Fobs","215526","2020-10-21","18:00:00",""
"2242952","10.263","0.002","9.086","0.0008","20.049","0.004","90","","111.577","0.016","90","","1738.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate","","- C18 H16 N2 O7 -","- C18 H16 N2 O7 -","- C72 H64 N8 O28 -","4","1","DX2017","Diana, Rosita; Tuzi, Angela; Panunzi, Barbara; Carella, Antonio; Caruso, Ugo","Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate","Acta Crystallographica Section E","2019","75","6","880","887","10.1107/S205698901900728X","","","0.71073","MoKα","","0.092","0.0519","","","0.1199","0.1385","","","","","","1.033","","","","has coordinates,has Fobs","215526","2020-10-21","18:00:00",""
"2242953","5.8493","0.0001","10.7773","0.0003","19.3201","0.0006","92.325","0.001","91.806","0.001","94.145","0.001","1213.02","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-(4-tert-Butoxyphenyl)-3-(4-n-octyloxyphenyl)-4,5-\ dihydroisoxazole","","- C27 H37 N O3 -","- C27 H37 N O3 -","- C54 H74 N2 O6 -","2","1","","Sales, Eric S.; Bortoluzzi, Adailton J.; Merlo, Aloir A.","Crystal structure of 5-(4-tert-butoxyphenyl)-3-(4-n-octyloxyphenyl)-4,5-dihydroisoxazole","Acta Crystallographica Section E","2019","75","6","896","899","10.1107/S2056989019007412","","","0.71073","MoKα","","0.0603","0.0493","","","0.1262","0.1398","","","","","","1.03","","","","has coordinates,has Fobs","215527","2020-10-21","18:00:00",""
"2242954","10.7486","0.0003","5.1925","0.0002","6.8302","0.0002","90","","99.063","0.001","90","","376.45","0.02","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pyruvic acid","2-Oxopropanoic acid","","- C3 H4 O3 -","- C3 H4 O3 -","- C12 H16 O12 -","4","1","HB7818","Heger, Dominik; Eugene, Alexis J.; Parkin, Sean R.; Guzman, Marcelo I.","Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid","Acta Crystallographica Section E","2019","75","6","858","862","10.1107/S2056989019007072","","","0.71073","MoKα","","0.0389","0.0313","","","0.0766","0.0815","","","","","","1.076","","","","has coordinates,has Fobs","215528","2020-10-21","18:00:00",""
"2242955","24.145","0.003","6.6523","0.0007","8.6201","0.0007","90","","95.169","0.004","90","","1378.9","0.3","90","0.2","90","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Zymonic acid","4-Hydroxy-2-methyl-5-oxo-2,5-dihydrofuran-2-carboxylic acid","","- C6 H6 O5 -","- C6 H6 O5 -","- C48 H48 O40 -","8","1","HB7818","Heger, Dominik; Eugene, Alexis J.; Parkin, Sean R.; Guzman, Marcelo I.","Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid","Acta Crystallographica Section E","2019","75","6","858","862","10.1107/S2056989019007072","","","0.71073","MoKα","","0.0431","0.0373","","","0.0947","0.0999","","","","","","1.093","","","","has coordinates,has Fobs","215528","2020-10-21","18:00:00",""
"2242956","9.4174","0.0019","9.97","0.002","15.877","0.003","90","","98.94","0.03","90","","1472.6","0.5","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7,8,15,16,17-Pentathiadispiro[5.2.5^9^.3^6^]heptadecane","","- C12 H20 S5 -","- C12 H20 S5 -","- C48 H80 S20 -","4","1","FY2136","Hofstetter, Robert; Elvers, Benedict J.; Potlitz, Felix; Link, Andreas; Schulzke, Carola","Crystal structure of 7,8,15,16,17-pentathiadispiro[5.2.5^9^.3^6^]heptadecane","Acta Crystallographica Section E","2019","75","6","888","891","10.1107/S2056989019007138","","","0.71073","MoKα","","0.0325","0.0278","","","0.0691","0.071","","","","","","1.065","","","","has coordinates,has Fobs","215529","2020-10-21","18:00:00",""
"2242957","11.7026","0.0003","14.6628","0.0004","12.7512","0.0003","90","","107.863","0.002","90","","2082.54","0.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-{[1,3-Phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)","","- C24 H22 O6 -","- C24 H22 O6 -","- C96 H88 O24 -","4","0.5","SU5484","Iqbal, Saleem; Viswanathan, Vijayan; Velmurugan, Devadasan; Abiraman, Tamilselvan; Balasubramanian, Sengottuvelan; Gunasekaran, Krishnasamy","Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) and 4,4'-{[(1,4-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)","Acta Crystallographica Section E","2019","75","6","875","879","10.1107/S2056989019006662","","","0.71073","MoKα","","0.0899","0.0524","","","0.1507","0.1779","","","","","","1.05","","","","has coordinates,has Fobs","215530","2020-10-21","18:00:00",""
"2242958","12.6668","0.0005","7.747","0.0003","10.4244","0.0004","90","","102.126","0.002","90","","1000.12","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-{[(1,4-Phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)","","- C24 H22 O6 -","- C24 H22 O6 -","- C48 H44 O12 -","2","0.5","SU5484","Iqbal, Saleem; Viswanathan, Vijayan; Velmurugan, Devadasan; Abiraman, Tamilselvan; Balasubramanian, Sengottuvelan; Gunasekaran, Krishnasamy","Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) and 4,4'-{[(1,4-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)","Acta Crystallographica Section E","2019","75","6","875","879","10.1107/S2056989019006662","","","0.71073","MoKα","","0.0792","0.0567","","","0.1778","0.1896","","","","","","1.14","","","","has coordinates,has Fobs","215530","2020-10-21","18:00:00",""
"2242959","16.1298","0.0017","7.8773","0.0008","13.5247","0.0014","90","","123.67","0.0012","90","","1430.2","0.3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Buthylene glycol difuranoate","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","0.5","IS5514","Hoshide, Mitsutoshi; Masu, Hyuma; Sasanuma, Yuji","Crystal structure of butane-1,4-diyl bis(furan-2-carboxylate)","Acta Crystallographica Section E","2019","75","6","872","874","10.1107/S2056989019007175","","","0.71073","MoKα","","0.0542","0.0407","","","0.0887","0.0981","","","","","","1.033","","","","has coordinates,has Fobs","215531","2020-10-21","18:00:00",""
"2242960","13.936","0.003","15.501","0.003","15.988","0.003","90","","105.92","0.16","90","","3321","3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl α-L-rhamnopyranosyl-(1\ρightarrow2)-α-L-rhamnopyranoside monohydrate","","- C13 H26 O10 -","- C13 H26 O10 -","- C104 H208 O80 -","8","4","IS5512","Eriksson, Lars; Widmalm, Göran","Crystal structure of methyl α-L-rhamnopyranosyl-(1\ρightarrow 2)-α-L-rhamnopyranoside monohydrate","Acta Crystallographica Section E","2019","75","6","854","857","10.1107/S2056989019006935","","","1.54184","CuKα","","0.2689","0.0753","","","0.148","0.1733","","","","","","0.849","","","","has coordinates,has Fobs","215532","2020-10-21","18:00:00",""
"2242961","8.841","0.0011","10.3043","0.0012","11.361","0.0012","94.801","0.009","103.596","0.009","106.905","0.009","949.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetate","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C42 H38 Cl2 N4 O6 -","2","1","WM5505","El Kalai, Fouad; Baydere, Cemile; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetate","Acta Crystallographica Section E","2019","75","6","892","895","10.1107/S2056989019007424","","","0.71073","MoKα","","0.0979","0.047","","","0.1105","0.1266","","","","","","0.91","","","","has coordinates,has Fobs","215533","2020-10-21","18:00:00",""
"2242962","8.3965","0.0013","8.9879","0.0014","12.0126","0.0016","101.73","0.005","100.818","0.005","112.463","0.005","784.2","0.2","200","2","200","","","","","","","","","4","P -1","-P 1","2","Bis(4-acetoxy-N,N-dimethyltryptammonium) fumarate","Bis{2-[4-(acetyloxy)-1H-indol-3-yl]ethan-1-aminium} but-2-enedioate","","- C32 H40 N4 O8 -","- C32 H40 N4 O8 -","- C32 H40 N4 O8 -","1","0.5","FF2159","Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(4-acetoxy-N,N-dimethyltryptammonium) fumarate: a new crystalline form of psilacetin, an alternative to psilocybin as a psilocin prodrug","Acta Crystallographica Section E","2019","75","6","900","902","10.1107/S2056989019007370","","","0.71073","MoKα","","0.0736","0.0452","","","0.0954","0.1095","","","","","","1.033","","","","has coordinates,has Fobs","215649","2020-10-21","18:00:00",""
"2242963","8.05","0.0002","4.9407","0.0001","24.9626","0.0007","90","","94.333","0.002","90","","989.99","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[3-(methylsulfanyl)propyl]-1,8:4,5-naphthalenetetracarboxylic diimide","","- C22 H22 N2 O4 S2 -","- C22 H22 N2 O4 S2 -","- C44 H44 N4 O8 S4 -","2","0.5","","Park, Juhyeon; Lee, Seung Heon; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of N,N'-bis[3-(methylsulfanyl)propyl]-1,8:4,5-naphthalenetetracarboxylic diimide","Acta Crystallographica Section E","2019","75","6","934","938","10.1107/S2056989019007771","","","0.71073","MoKα","","0.0556","0.042","","","0.0948","0.1006","","","","","","1.048","","","","has coordinates,has Fobs","215650","2020-10-21","18:00:00",""
"2242964","8.642","0.0017","16.687","0.003","9.734","0.0019","90","","96.46","0.03","90","","1394.8","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,14-Diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dinitrate dihydrate","","- C22 H50 N6 O8 -","- C22 H50 N6 O8 -","- C44 H100 N12 O16 -","2","0.5","SJ5572","Moon, Dohyun; Jeon, Sunghwan; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dinitrate dihydrate from synchrotron X-ray data","Acta Crystallographica Section E","2019","75","6","921","924","10.1107/S2056989019007655","","","0.61","synchrotron","","0.0723","0.0624","","","0.2006","0.2109","","","","","","1.103","","","","has coordinates,has Fobs","215651","2020-10-21","18:00:00",""
"2242965","15.4185","0.0003","24.9658","0.0004","24.3053","0.0005","90","","90.039","0.002","90","","9356","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2^10^,2^20^-Bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate","","- C53 H36 Cl6 N4 Ni O4 -","- C53 H36 Cl6 N4 Ni O4 -","- C424 H288 Cl48 N32 Ni8 O32 -","8","2","WM5502","Peters, Morten K.; Näther, Christian; Herges, Rainer","Crystal structure of 2^10^,2^20^-bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate","Acta Crystallographica Section E","2019","75","6","925","929","10.1107/S2056989019007527","","","0.71073","MoKα","","0.048","0.0404","","","0.1023","0.1062","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","215652","2020-10-21","18:00:00",""
"2242966","9.061","0.0006","20.9844","0.0011","11.2527","0.0009","90","","90.526","0.009","90","","2139.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)iron(II)","","- C50 H36 Fe N6 O4 S2 -","- C50 H36 Fe N6 O4 S2 -","- C100 H72 Fe2 N12 O8 S4 -","2","0.5","LH5906","Wellm, Carsten; Näther, Christian","Crystal structure, synthesis and thermal properties of tetrakis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)iron(II)","Acta Crystallographica Section E","2019","75","6","917","920","10.1107/S2056989019007679","","","0.71073","MoKα","","0.053","0.0437","","","0.1069","0.1129","","","","","","1.039","","","","has coordinates,has Fobs","215653","2020-10-21","18:00:00",""
"2242967","14.2634","0.0007","16.0124","0.0007","13.7732","0.0006","90","","117.748","0.002","90","","2783.9","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate","","- C14 H14 Cl N O3 -","- C14 H14 Cl N O3 -","- C112 H112 Cl8 N8 O24 -","8","1","MW2143","Bouzian, Younos; Karrouchi, Khalid; Anouar, El Hassane; Bouhfid, Rachid; Arshad, Suhana; Essassi, El Mokhtar","Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate","Acta Crystallographica Section E","2019","75","6","912","916","10.1107/S2056989019007473","","","0.71073","MoKα","","0.0816","0.0578","","","0.1581","0.2031","","","","","","1.1","","","","has coordinates,has Fobs","215654","2020-10-21","18:00:00",""
"2242968","8.3344","0.0003","10.5937","0.0004","21.1228","0.0008","90","","90","","90","","1864.98","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N,N-Trimethyl-1-(4-vinylphenyl)methanaminium 4-vinylbenzenesulfonate","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","XI2014","McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim; Wickramasinhage, Ravindra N.","Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinylphenyl)methanaminium 4-vinylbenzenesulfonate","Acta Crystallographica Section E","2019","75","7","946","950","10.1107/S2056989019007758","","","1.54184","CuKα","","0.0477","0.0396","","","0.0957","0.1028","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","215709","2020-10-21","18:00:00",""
"2242969","14.9088","0.0013","5.7669","0.0005","17.9074","0.0015","90","","104.491","0.002","90","","1490.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2E)-3-(4-Chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H14 Cl F O3 -","- C17 H14 Cl F O3 -","- C68 H56 Cl4 F4 O12 -","4","1","IS5515","Çelikesir, Sevim Türktekin; Sheshadri, S. N.; Akkurt, Mehmet; Chidan Kumar, C. S.; Veeraiah, M. K.","Crystal structure and Hirshfeld surface analysis of (2E)-3-(4-chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","7","942","945","10.1107/S2056989019007783","","","0.71073","MoKα","","0.0642","0.0466","","","0.1286","0.1429","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","215711","2020-10-21","18:00:00",""
"2242970","11.0808","0.0005","9.0251","0.0005","22.8157","0.001","90","","90","","90","","2281.69","0.19","294","0.2","294","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Hydroxyphenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C13 H10 O2 S -","- C13 H10 O2 S -","- C104 H80 O16 S8 -","8","1","LH5905","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.0632","0.0487","","","0.1236","0.1338","","","","","","1.047","","","","has coordinates,has Fobs","215712","2020-10-21","18:00:00",""
"2242971","16.4118","0.0013","5.8387","0.0005","12.6456","0.0009","90","","97.279","0.007","90","","1201.98","0.17","294.07","0.1","294.07","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.067","0.0455","","","0.1015","0.1175","","","","","","1.039","","","","has coordinates,has Fobs","215712","2020-10-21","18:00:00",""
"2242972","16.512","0.0008","7.7851","0.0005","10.4913","0.0005","90","","96.813","0.004","90","","1339.11","0.13","294","0.2","294","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Ethoxyphenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.0598","0.0473","","","0.1285","0.1412","","","","","","1.051","","","","has coordinates,has Fobs","215712","2020-10-21","18:00:00",""
"2242973","14.1245","0.0007","14.2016","0.0013","5.8809","0.0004","90","","98.081","0.006","90","","1167.94","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C13 H9 Br O S -","- C13 H9 Br O S -","- C52 H36 Br4 O4 S4 -","4","1","","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.068","0.0429","","","0.093","0.107","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","215712","2020-10-21","18:00:00",""
"2242974","10.144","0.003","7.952","0.002","10.928","0.003","90","","97.104","0.012","90","","874.7","0.4","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-Diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C42 H32 N4 O4 -","2","1","LH5908","Ghandour, Ismail; Bouayad, Abdelouahed; Hökelek, Tuncer; Haoudi, Amal; Capet, Frédéric; Renard, Catherine; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 5,5-diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione","Acta Crystallographica Section E","2019","75","7","951","956","10.1107/S2056989019007801","","","0.71073","MoKα","","0.0414","0.0352","","","0.0863","0.0901","","","","","","1.029","","","","has coordinates,has Fobs","215713","2020-10-21","18:00:00",""
"2242975","6.2114","0.0004","19.4553","0.0011","11.252","0.0007","90","","91.883","0.002","90","","1359.01","0.14","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Chloro-3-[(E)-(2-phenylhydrazinylidene)methyl]quinoline","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","1","","Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; El Ammari, Lahcen; Ketatni, El Mostafa","Synthesis, crystal structure and Hirshfeld surface analysis of 2-chloro-3-[(E)-(2-phenylhydrazinylidene)methyl]quinoline","Acta Crystallographica Section E","2019","75","7","964","968","10.1107/S2056989019007692","","","0.71073","MoKα","","0.0344","0.0293","","","0.0698","0.0719","","","","","","1.035","","","","has coordinates,has Fobs","215741","2020-10-21","18:00:00",""
"2242976","6.2525","0.0008","7.797","0.001","10.281","0.0013","90","","104.744","0.002","90","","484.7","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Pirfenidone","5-Methyl-1-phenylpyridin-2(1H)-one","","- C12 H11 N O -","- C12 H11 N O -","- C24 H22 N2 O2 -","2","1","","Barbero, Mauro; Mossotti, Matteo; Sironi, Angelo; Giovenzana, Giovanni Battista; Colombo, Valentina","Crystal structure of pirfenidone (5-methyl-1-phenyl-1H-pyridin-2-one): an active pharmaceutical ingredient (API)","Acta Crystallographica Section E","2019","75","7","984","986","10.1107/S2056989019006418","","","0.71073","MoKα","","0.0446","0.037","","","0.0902","0.0954","","","","","","1.043","","","","has coordinates","215868","2020-10-21","18:00:00",""
"2242977","8.5134","0.0004","23.7812","0.0009","8.9028","0.0004","90","","101.401","0.004","90","","1766.88","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2R,3R)-\ tartrato(4-)]dicopper(II) octahydrate","Aqua-1κO-bis(4,4'-dimethoxy-2,2'-bipyridine)-1κ^2^N,N';2κ^2^N,N'-[μ-(2R,3R)-2,3-dioxidosuccinato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^]dicopper(II) octahydrate","","- C28 H44 Cu2 N4 O19 -","- C28 H44 Cu2 N4 O19 -","- C56 H88 Cu4 N8 O38 -","2","1","ZQ2247","Wiedemann, Dennis; Kulko, Roman-David; Grohmann, Andreas","Synthesis, characterization, and crystal structure of aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2R,3R)-tartrato(4{-})]dicopper(II) octahydrate","Acta Crystallographica Section E","2019","75","7","972","975","10.1107/S2056989019008053","","x-ray","0.71073","MoKα","","0.0309","0.028","","","0.0705","0.0718","","","","","","1.036","","","","has coordinates,has Fobs","215869","2020-10-21","18:00:00",""
"2242978","5.6101","0.0004","19.5523","0.0011","17.2761","0.0011","90","","96.969","0.005","90","","1881","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","enzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Bouzian, Younos; Faizi, Md. Serajul Haque; Mague, Joel T.; Otmani, Bouchaib El; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar","Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2019","75","7","980","983","10.1107/S2056989019007989","","","0.71073","MoKα","","0.0759","0.041","","","0.1034","0.1145","","","","","","0.954","","","","has coordinates,has Fobs","215870","2020-10-21","18:00:00",""
"2242979","13.0352","0.0002","14.1348","0.0004","17.0471","0.0004","90","","90.217","0.002","90","","3140.9","0.13","173","2","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{[(3-{[2-(Diphenylphosphinoyl)ethanamido]methyl}benzyl)carbamoyl]methyl}diphenylphosphine oxide","","- C36 H34 N2 O4 P2 -","- C36 H34 N2 O4 P2 -","- C144 H136 N8 O16 P8 -","4","0.5","PK2617","VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds","Acta Crystallographica Section E","2019","75","7","991","996","10.1107/S205698901900820X","","","1.54178","CuKα","","0.0508","0.0412","","","0.1098","0.1166","","","","","","1.026","","","","has coordinates,has Fobs","216005","2020-10-21","18:00:00",""
"2242980","8.9401","0.0001","15.0535","0.0002","15.7314","0.0003","90","","90","","90","","2117.13","0.05","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethyl [({2-[2-(diethoxyphosphinoyl)ethanamido]ethyl}carbamoyl)methyl]phosphonate","","- C14 H30 N2 O8 P2 -","- C14 H30 N2 O8 P2 -","- C56 H120 N8 O32 P8 -","4","0.5","PK2617","VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds","Acta Crystallographica Section E","2019","75","7","991","996","10.1107/S205698901900820X","","","1.54178","CuKα","","0.0391","0.0349","","","0.0901","0.0931","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216005","2020-10-21","18:00:00",""
"2242981","14.3173","0.0011","13.0633","0.0009","14.545","0.0011","90","","110.264","0.006","90","","2552","0.3","293","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-[(2-Hydroxy-5-methoxybenzylidene)amino]benzonitrile","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C120 H96 N16 O16 -","8","2","LH5907","Faizi, Md. Serajul Haque; Dege, Necmi; Çiçek, Ceren; Agar, Erbil; Fritsky, Igor O.","Crystal structure, DFT and MEP study of (E)-2-[(2-hydroxy-5-methoxybenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2019","75","7","987","990","10.1107/S2056989019008077","","","0.71073","MoKα","","0.1342","0.0429","","","0.0841","0.1064","","","","","","0.803","","","","has coordinates,has Fobs","216006","2020-10-21","18:00:00",""
"2242982","14.194","0.004","12.314","0.004","16.249","0.005","90","","92.701","0.004","90","","2836.9","1.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromidotricarbonyl[diphenyl(pyridin-2-yl)phosphane-κ^2^N,P]rhenium(I) chloroform disolvate, [ReBr(C~17~H~14~NP)(CO)~3~]\χdot2CHCl~3~","","- C22 H16 Br Cl6 N O3 P Re -","- C22 H16 Br Cl6 N O3 P Re -","- C88 H64 Br4 Cl24 N4 O12 P4 Re4 -","4","1","","Palominos, Franco; Muñoz, Carolina; Oyarzun, Poldie; Saldías, Marianela; Vega, Andrés","Crystal structures and Hirshfeld surface analysis of [κ^2^-P,N-{(C~6~H~5~)~2~(C~5~H~5~N)P}Re(CO)~3~Br]·2CHCl~3~ and the product of its reaction with piperidine, [P-{(C~6~H~5~)~2~(C~5~H~5~N)P}(C~5~H~11~N)Re(CO)~3~Br]","Acta Crystallographica Section E","2019","75","7","1005","1010","10.1107/S2056989019008089","","","0.71073","MoKα","","0.0369","0.0263","","","0.0595","0.0647","","","","","","0.989","","","","has coordinates,has Fobs","216491","2020-10-21","18:00:00",""
"2242983","9.1384","0.0017","9.8348","0.0018","15.671","0.003","82.956","0.002","82.047","0.002","69.765","0.002","1304.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bromidotricarbonyl[diphenyl(pyridin-2-yl)phosphane-κP](piperidine-κN)rhenium(I)","","- C25 H25 Br N2 O3 P Re -","- C25 H25 Br N2 O3 P Re -","- C50 H50 Br2 N4 O6 P2 Re2 -","2","1","","Palominos, Franco; Muñoz, Carolina; Oyarzun, Poldie; Saldías, Marianela; Vega, Andrés","Crystal structures and Hirshfeld surface analysis of [κ^2^-P,N-{(C~6~H~5~)~2~(C~5~H~5~N)P}Re(CO)~3~Br]·2CHCl~3~ and the product of its reaction with piperidine, [P-{(C~6~H~5~)~2~(C~5~H~5~N)P}(C~5~H~11~N)Re(CO)~3~Br]","Acta Crystallographica Section E","2019","75","7","1005","1010","10.1107/S2056989019008089","","","0.71073","MoKα","","0.0501","0.0416","","","0.0793","0.082","","","","","","1.112","","","","has coordinates,has Fobs","216491","2020-10-21","18:00:00",""
"2242984","8.0785","0.0002","12.423","0.0003","13.0772","0.0003","90","","90.551","0.001","90","","1312.36","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N-(2-Chlorophenylcarbamothioyl)-4-fluorobenzamide","","- C14 H10 Cl F N2 O S -","- C14 H10 Cl F N2 O S -","- C56 H40 Cl4 F4 N8 O4 S4 -","4","1","HB7804","Akhter, Sidra; Choudhary, Muhammad Iqbal; Siddiqui, Hina; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of N-(2-chlorophenylcarbamothioyl)-4-fluorobenzamide and N-(4-bromophenylcarbamothioyl)-4-fluorobenzamide","Acta Crystallographica Section E","2019","75","7","1026","1029","10.1107/S2056989019008569","","","1.54178","CuKα","","0.0265","0.0254","","","0.0681","0.0689","","","","","","1.05","","","","has coordinates,has Fobs","216492","2020-10-21","18:00:00",""
"2242985","3.8733","0.0002","13.0776","0.0005","13.2628","0.0006","98.817","0.001","94.714","0.001","94.727","0.001","658.54","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","N-(4-Bromophenylcarbamothioyl)-4-fluorobenzamide","","- C14 H10 Br F N2 O S -","- C14 H10 Br F N2 O S -","- C28 H20 Br2 F2 N4 O2 S2 -","2","1","HB7804","Akhter, Sidra; Choudhary, Muhammad Iqbal; Siddiqui, Hina; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of N-(2-chlorophenylcarbamothioyl)-4-fluorobenzamide and N-(4-bromophenylcarbamothioyl)-4-fluorobenzamide","Acta Crystallographica Section E","2019","75","7","1026","1029","10.1107/S2056989019008569","","","1.54178","CuKα","","0.0252","0.0252","","","0.1095","0.1096","","","","","","1.098","","","","has coordinates,has Fobs","216492","2020-10-21","18:00:00",""
"2242986","8.5395","0.0007","20.7595","0.0015","8.6686","0.0006","90","","108.908","0.003","90","","1453.81","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]\ dithiocyanatonickel(II)","","- C26 H20 N10 Ni O4 S2 -","- C26 H20 N10 Ni O4 S2 -","- C52 H40 N20 Ni2 O8 S4 -","2","0.5","RZ5259","Rhoufal, Ferdaousse; Bentiss, Fouad; Guesmi, Salaheddine; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II)","Acta Crystallographica Section E","2019","75","7","1046","1050","10.1107/S2056989019008727","","","0.71073","MoKα","","0.0733","0.0454","","","0.1119","0.1232","","","","","","1.051","","","","has coordinates,has Fobs","216493","2020-10-21","18:00:00",""
"2242987","16.9915","0.0006","9.3183","0.0003","22.0129","0.0007","90","","90","","90","","3485.3","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2,4-Triphenylcyclopentane-1,2-diol","(1R,2S,4r)-1,2,4-Triphenylcyclopentane-1,2-diol","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","","Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.","(1R,2S,4r)-1,2,4-Triphenylcyclopentane-1,2-diol and (1R,2S,4r)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone","Acta Crystallographica Section E","2019","75","7","1035","1040","10.1107/S2056989019008673","","","0.71073","MoKα","","0.0636","0.0546","","","0.1307","0.1363","","","","","","1.11","","","","has coordinates,has Fobs","216494","2020-10-21","18:00:00",""
"2242988","11.4136","0.0006","14.0145","0.0007","19.0339","0.001","92.3394","0.0018","101.546","0.0017","105.013","0.0019","2867.3","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","4-(2-Methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol","(1R,2S,4r)-4-(2-Methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol","","- C24 H24 O3 -","- C24 H24 O3 -","- C144 H144 O18 -","6","3","","Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.","(1R,2S,4r)-1,2,4-Triphenylcyclopentane-1,2-diol and (1R,2S,4r)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone","Acta Crystallographica Section E","2019","75","7","1035","1040","10.1107/S2056989019008673","","","0.71073","MoKα","","0.0781","0.0511","","","0.1221","0.1355","","","","","","1.039","","","","has coordinates,has Fobs","216494","2020-10-21","18:00:00",""
"2242989","5.0575","0.0003","10.0973","0.0007","38.608","0.002","86.237","0.005","86.675","0.005","88.354","0.005","1963.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C100 H76 F4 N8 O8 -","4","2","","Daoui, Said; Faizi, Md. Serajul Haque; Kalai, Fouad El; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and the DFT and MEP study of 4-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one","Acta Crystallographica Section E","2019","75","7","1030","1034","10.1107/S2056989019008557","","","0.71073","MoKα","","0.0612","0.0379","","","0.1008","0.1083","","","","","","0.992","","","","has coordinates,has Fobs","216495","2020-10-21","18:00:00",""
"2242990","7.2625","0.0003","17.8132","0.0007","21.1511","0.0009","90","","92.159","0.003","90","","2734.34","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Diaqua(3-benzyl-1,3,5,8,12-pentaazacyclotetradecane-κ^4^N^1^,N^5^,N^8^,N^12^)copper(II) isophthalate monohydrate","","- C24 H39 Cu N5 O7 -","- C24 H39 Cu N5 O7 -","- C96 H156 Cu4 N20 O28 -","4","1","HB7828","Andriichuk, Irina L.; Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","Crystal structures of trans-diaqua(3-R-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (R = benzyl or pyridin-3-ylmethyl)","Acta Crystallographica Section E","2019","75","7","1015","1019","10.1107/S2056989019008387","","","0.71073","MoKα","","0.0536","0.0322","","","0.074","0.0843","","","","","","1.016","","","","has coordinates,has Fobs","216496","2020-10-21","18:00:00",""
"2242991","7.1955","0.0003","19.0463","0.0008","19.4426","0.0008","90","","94.276","0.002","90","","2657.15","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Diaqua[3-(pyridin-3-ylmethyl)-1,3,5,8,12-pentaazacyclotetradecane-κ^4^N^1^,N^5^,N^8^,N^12^]copper(II) isophthalate 0.9-hydrate","","- C23 H37.8 Cu N6 O6.9 -","- C23 H37.8 Cu N6 O6.9 -","- C92 H151.2 Cu4 N24 O27.6 -","4","1","HB7828","Andriichuk, Irina L.; Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","Crystal structures of trans-diaqua(3-R-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (R = benzyl or pyridin-3-ylmethyl)","Acta Crystallographica Section E","2019","75","7","1015","1019","10.1107/S2056989019008387","","","0.71073","MoKα","","0.0872","0.0399","","","0.0789","0.0968","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","216496","2020-10-21","18:00:00",""
"2242992","16.5325","0.0002","17.5842","0.0002","19.8873","0.0002","90","","90.653","0.001","90","","5781.08","0.11","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexakis(2-methyl-1H-imidazol-3-ium) heptamolybdate 2-methyl-1H-imidazole disolvate dihydrate","","- C32 H58 Mo7 N16 O26 -","- C32 H58 Mo7 N16 O26 -","- C128 H232 Mo28 N64 O104 -","4","1","HB7831","Sarr, Bougar; Mbaye, Abdou; Diallo, Wally; Diop, Cheikh Abdoul Khadir; Sidibe, Mamadou; Michaud, Francois","Synthesis and crystal structure of a new hybrid organic‒inorganic material containing neutral molecules, cations and heptamolybdate anions","Acta Crystallographica Section E","2019","75","7","1001","1004","10.1107/S2056989019008454","","x-ray","0.71073","MoKα","","0.0679","0.0461","","","0.104","0.1202","","","","","","1.146","","","","has coordinates,has Fobs","216497","2020-10-21","18:00:00",""
"2242993","8.7512","0.0005","9.1357","0.0006","11.2803","0.0007","85.524","0.005","72.769","0.005","86.926","0.005","858.3","0.09","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[chloridoaluminate(III)]-tri-μ-chlorido-4':1κ^2^Cl,1:2κ^4^Cl-[(η^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-2:3κ^4^Cl-[(η^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-3:4κ^4^Cl-[chloridoaluminate(III)]-μ-chlorido-4:1'κ^2^Cl]","","- C20 H28 Al2 Cl10 Sn2 -","- C20 H28 Al2 Cl10 Sn2 -","- C20 H28 Al2 Cl10 Sn2 -","1","0.5","WM5510","Merkelbach, Johannes; Frank, Walter","Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH~3~)~4~C~6~H~2~}~2~Sn~2~Cl~2~][MCl~4~]~2~ (M = Al and Ga)","Acta Crystallographica Section E","2019","75","7","1051","1056","10.1107/S2056989019008508","","","0.71073","MoKα","","0.0312","0.0276","","","0.0563","0.0575","","","","","","1.243","","","","has coordinates,has Fobs","216560","2020-10-21","18:00:00",""
"2242994","8.7572","0.0004","9.131","0.0004","11.2966","0.0005","85.424","0.003","72.805","0.003","86.886","0.004","859.73","0.07","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[chloridogallate(III)]-tri-μ-chlorido-4':1κ^2^Cl,1:2κ^4^Cl-[(η^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-2:3κ^4^Cl-[(η^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-3:4κ^4^Cl-[chloridogallate(III)]-μ-chlorido-4:1'κ^2^Cl]","","- C20 H28 Cl10 Ga2 Sn2 -","- C20 H28 Cl10 Ga2 Sn2 -","- C20 H28 Cl10 Ga2 Sn2 -","1","0.5","WM5510","Merkelbach, Johannes; Frank, Walter","Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH~3~)~4~C~6~H~2~}~2~Sn~2~Cl~2~][MCl~4~]~2~ (M = Al and Ga)","Acta Crystallographica Section E","2019","75","7","1051","1056","10.1107/S2056989019008508","","","0.71073","MoKα","","0.0393","0.0333","","","0.0666","0.0685","","","","","","1.224","","","","has coordinates,has Fobs","216560","2020-10-21","18:00:00",""
"2242995","10.7799","0.0011","10.9481","0.0011","14.1895","0.0015","74.526","0.002","68.246","0.001","80.207","0.002","1494.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","(E)-N-Cyclohexyl-2-(2-hydroxy-3-methylbenzylidene)hydrazine-1-\ carbothioamide","","- C15 H21 N3 O S -","- C15 H21 N3 O S -","- C60 H84 N12 O4 S4 -","4","2","","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook","Crystal structure of (E)-N-cyclohexyl-2-(2-hydroxy-3-methylbenzylidene)hydrazine-1-carbothioamide","Acta Crystallographica Section E","2019","75","7","1065","1068","10.1107/S2056989019008946","","","0.71073","MoKα","","0.0791","0.0486","","","0.1054","0.1191","","","","","","1.035","","","","has coordinates,has Fobs","216641","2020-10-21","18:00:00",""
"2242996","15.5072","0.0006","12.3504","0.0005","16.3017","0.0005","90","","114.868","0.001","90","","2832.62","0.18","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-1,3-phenylene bis[5-(dimethylamino)naphthalene-1-sulfonate]","","- C31 H30 N2 O6 S2 -","- C31 H30 N2 O6 S2 -","- C124 H120 N8 O24 S8 -","4","0.5","SJ5573","Duangthongyou, Tanwawan; Rattanakam, Ramida; Chainok, Kittipong; Suramitr, Songwut; Tuntulani, Thawatchai; Wannalerse, Boontana","5-Methyl-1,3-phenylene bis[5-(dimethylamino)naphthalene-1-sulfonate]: crystal structure and DFT calculations","Acta Crystallographica Section E","2019","75","7","1079","1083","10.1107/S2056989019009058","","","0.71073","MoKα","","0.044","0.0368","","","0.1007","0.1059","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","216642","2020-10-21","18:00:00",""
"2242997","7.2678","0.0002","26.5667","0.0007","11.359","0.0003","90","","90.498","0.003","90","","2193.13","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,9-Dimethyl-5H-pyrano[3,2-c:5,6-c']bis[2,1-benzothiazin]-7(9H)-one 6,6,8,8-tetroxide dimethylformamide monosolvate","","- C22 H21 N3 O7 S2 -","- C22 H21 N3 O7 S2 -","- C88 H84 N12 O28 S8 -","4","1","WM5508","Rybalka, Andrii; Shishkina, Svitlana; Ukrainets, Igor; Sidorenko, Lyudmila; Sim, Galina","Molecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c']bis[2,1-benzothiazin]-7(9H)-one 6,6,8,8-tetroxide dimethylformamide monosolvate","Acta Crystallographica Section E","2019","75","7","1076","1078","10.1107/S2056989019008788","","","0.71073","MoKα","","0.0495","0.04","","","0.1062","0.1106","","","","","","1.058","","","","has coordinates,has Fobs","216643","2020-10-21","18:00:00",""
"2242998","5.8052","0.0003","11.954","0.0006","9.6135","0.0005","90","","95.506","0.001","90","","664.05","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Fructose-cycloleucine","1-[(1-Deoxy-β-D-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate","","- C12 H21 N O7 -","- C12 H21 N O7 -","- C24 H42 N2 O14 -","2","1","EB2020","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Multicentered hydrogen bonding in 1-[(1-deoxy-β-D-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate (`D-fructose-cycloleucine')","Acta Crystallographica Section E","2019","75","8","1096","1101","10.1107/S2056989019009253","","","0.71073","MoKα","","0.0318","0.0293","","","0.0709","0.0729","","","","","","1.03","","","","has coordinates,has Fobs","216702","2020-10-21","18:00:00",""
"2242999","13.082","0.0008","8.0287","0.0004","24.0442","0.0012","90","","90","","90","","2525.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-[1-(4-Hydroxyphenyl)benzylidene]-2-(thiophen-3-yl)acetohydrazide","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C104 H96 N16 O16 S8 -","8","1","RZ5260","Vu Quoc, Trung; Nguyen Ngoc, Linh; Tran Thi Thuy, Duong; Vu Quoc, Manh; Vuong Nguyen, Thien; Oanh Doan Thi, Yen; Van Meervelt, Luc","Crystal structure of two N'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides","Acta Crystallographica Section E","2019","75","8","1090","1095","10.1107/S2056989019008892","","x-ray","0.71073","MoKα","","0.0731","0.0456","","","0.0944","0.1087","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","216706","2020-10-21","18:00:00",""
"2243000","6.5185","0.0002","9.7447","0.0005","10.9291","0.0006","78.327","0.004","83.07","0.004","87.013","0.004","674.63","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N'-[1-(4-Methoxyphenyl)benzylidene]-2-(thiophen-3-yl)acetohydrazide","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C28 H28 N4 O4 S2 -","2","1","","Vu Quoc, Trung; Nguyen Ngoc, Linh; Tran Thi Thuy, Duong; Vu Quoc, Manh; Vuong Nguyen, Thien; Oanh Doan Thi, Yen; Van Meervelt, Luc","Crystal structure of two N'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides","Acta Crystallographica Section E","2019","75","8","1090","1095","10.1107/S2056989019008892","","x-ray","0.71073","MoKα","","0.0624","0.0512","","","0.1367","0.1453","","","","","","1.059","","","","has coordinates,has Fobs","216706","2020-10-21","18:00:00",""
"2243001","20.345","0.003","12.439","0.003","19.575","0.004","90","","112.8","0.009","90","","4566.8","1.6","162","2","162","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate","","- C48 H38 N14 Ni O4 -","- C48 H38 N14 Ni O4 -","- C192 H152 N56 Ni4 O16 -","4","0.5","MW2141","Chi-Duran, Ignacio; Setifi, Zouaoui; Setifi, Fatima; Jelsch, Christian; Morgenstern, Bernd; Vega, Andres; Herrera, Felipe; Pratap Singh, Dinesh; Hegetschweiler, Kaspar; Boyaala, Rabab","Crystal structure and Hirshfeld surface analysis of tris(2,2'-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate","Acta Crystallographica Section E","2019","75","6","867","871","10.1107/S2056989019006959","","","0.71073","MoKα","","0.1506","0.0612","","","0.0999","0.1251","","","","","","1.002","","","","has coordinates,has Fobs","216921","2020-10-21","18:00:00",""
"2243002","5.4199","0.0005","10.3293","0.0009","17.4076","0.0015","90","","90","","90","","974.54","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","E27_Corley","2,3,5,6-Tetrafluoro-4-phenoxypyridine","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C44 H20 F16 N4 O4 -","4","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0296","0.0284","","","0.0717","0.073","","","","","","1.05","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243003","13.353","0.0005","5.8584","0.0002","14.8863","0.0006","90","","113.585","0.002","90","","1067.24","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenoxy)-2,3,5,6-tetrafluoropyridine","","- C11 H4 Br F4 N O -","- C11 H4 Br F4 N O -","- C44 H16 Br4 F16 N4 O4 -","4","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0385","0.0305","","","0.0794","0.0825","","","","","","1.064","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243004","5.4703","0.0005","9.2548","0.0009","24.109","0.002","90","","90","","90","","1220.56","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,5,6-Tetrafluoro-4-[(naphthalen-2-yl)oxy]pyridine","","- C15 H7 F4 N O -","- C15 H7 F4 N O -","- C60 H28 F16 N4 O4 -","4","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0327","0.0306","","","0.0756","0.0775","","","","","","1.07","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243005","6.0135","0.0003","7.4994","0.0004","14.6318","0.0007","90","","101.401","0.002","90","","646.84","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(6-Bromonaphthalen-2-yl)oxy]-2,3,5,6-tetrafluoropyridine","","- C15 H6 Br F4 N O -","- C15 H6 Br F4 N O -","- C30 H12 Br2 F8 N2 O2 -","2","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0342","0.0305","","","0.0568","0.0575","","","","","","1.143","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243006","18.8516","0.0006","10.6512","0.0003","9.2196","0.0003","90","","90","","90","","1851.22","0.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,2'-Bis[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]-1,1'-biphenyl","","- C22 H8 F8 N2 O2 -","- C22 H8 F8 N2 O2 -","- C88 H32 F32 N8 O8 -","4","0.5","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0406","0.0357","","","0.0928","0.0983","","","","","","1.06","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243007","9.1652","0.0003","16.9764","0.0006","10.9687","0.0004","90","","91.156","0.001","90","","1706.3","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","SU5498","Syed Abuthahir, S.; NizamMohideen, M.; Mayakrishnan, S.; Uma Maheswari, N.; Viswanathan, V.","Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1H-isochromen-1-one","Acta Crystallographica Section E","2019","75","8","1117","1122","10.1107/S2056989019009435","","","0.71073","MoKα","","0.0585","0.0395","","","0.1044","0.118","","","","","","1.032","","","","has coordinates,has Fobs","216957","2020-10-21","18:00:00",""
"2243008","10.4844","0.0008","26.562","0.002","9.3651","0.0006","90","","105.367","0.003","90","","2514.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Amino-3,4-diethyl-6-methyl-1H-isochromen-1-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","2","SU5498","Syed Abuthahir, S.; NizamMohideen, M.; Mayakrishnan, S.; Uma Maheswari, N.; Viswanathan, V.","Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1H-isochromen-1-one","Acta Crystallographica Section E","2019","75","8","1117","1122","10.1107/S2056989019009435","","","0.71073","MoKα","","0.1075","0.0536","","","0.1342","0.1683","","","","","","1.007","","","","has coordinates,has Fobs","216957","2020-10-21","18:00:00",""
"2243009","17.635","0.005","7.817","0.002","16.718","0.004","90","","110.639","0.009","90","","2156.7","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(Methylamino)tropone","2-(Methylamino)cyclohepta-2,4,6-trien-1-one","","- C8 H9 N O -","- C8 H9 N O -","- C96 H108 N12 O12 -","12","3","PK2619","Jansen van Vuuren, Leandri; Visser, Hendrik G.; Schutte-Smith, Marietjie","Crystal structure of 2-(methylamino)tropone","Acta Crystallographica Section E","2019","75","8","1128","1132","10.1107/S2056989019009502","","","0.71073","MoKα","","0.0681","0.0394","","","","0.1036","","","","","","1.026","","","","has coordinates","216958","2020-10-21","18:00:00",""
"2243010","23.1461","0.0012","8.2631","0.0004","14.6374","0.0008","90","","97.687","0.004","90","","2774.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2-Oxo-2H-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate","","- C13 H14 O6 S -","- C13 H14 O6 S -","- C104 H112 O48 S8 -","8","2","VM2218","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.","Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2H-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2019","75","8","1123","1127","10.1107/S2056989019009447","","","0.71073","MoKα","","0.1977","0.0626","","","0.1506","0.2079","","","","","","0.874","","","","has coordinates,has disorder,has Fobs","216959","2020-10-21","18:00:00",""
"2243011","18.5306","0.0013","10.4541","0.0003","14.2522","0.0009","90","","107.509","0.007","90","","2633","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[gold(I)-μ-cyanido-[diaquabis(2-phenylpyrazine)iron(II)]-μ-cyanido] dicyanidogold(I)]","","- C24 H20 Au2 Fe N8 O2 -","- C24 H20 Au2 Fe N8 O2 -","- C96 H80 Au8 Fe4 N32 O8 -","4","0.5","","Kucheriv, Olesia I.; Barakhtii, Diana D.; Malinkin, Sergey O.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of catena-poly[[gold(I)-μ-cyanido-[diaquabis(2-phenylpyrazine)iron(II)]-μ-cyanido] dicyanidogold(I)]","Acta Crystallographica Section E","2019","75","8","1149","1152","10.1107/S2056989019009678","","x-ray","0.71073","MoKα","","0.0598","0.0381","","","0.075","0.0839","","","","","","1.044","","","","has coordinates,has Fobs","217005","2020-10-21","18:00:00",""
"2243012","7.0347","0.0015","10.256","0.002","18.129","0.004","78.844","0.01","80.165","0.01","87.242","0.01","1264.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(3aR,4S,7R,7aS)-2-(Perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione","","","- C14 H8 F4 N2 O2 -","- C14 H8 F4 N2 O2 -","- C56 H32 F16 N8 O8 -","4","2","HB7832","Peloquin, Andrew J.; Balaich, Gary J.; Iacono, Scott T.","Syntheses, crystal structures and Hirshfeld surface analyses of (3aR,4S,7R,7aS)-2-(perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione and (3aR,4S,7R,7aS)-2-[(perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione","Acta Crystallographica Section E","2019","75","8","1153","1157","10.1107/S2056989019009769","","","0.71073","MoKα","","0.0553","0.0447","","","0.116","0.1259","","","","","","1.023","","","","has coordinates,has Fobs","217006","2020-10-21","18:00:00",""
"2243013","12.285","0.006","5.945","0.003","17.888","0.008","90","","93.44","0.03","90","","1304.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(3aR,4S,7R,7aS)-2-[(Perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione","","","- C14 H8 F4 N2 O3 -","- C14 H8 F4 N2 O3 -","- C56 H32 F16 N8 O12 -","4","1","HB7832","Peloquin, Andrew J.; Balaich, Gary J.; Iacono, Scott T.","Syntheses, crystal structures and Hirshfeld surface analyses of (3aR,4S,7R,7aS)-2-(perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione and (3aR,4S,7R,7aS)-2-[(perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione","Acta Crystallographica Section E","2019","75","8","1153","1157","10.1107/S2056989019009769","","","0.71073","MoKα","","0.0419","0.0381","","","0.1012","0.1052","","","","","","1.037","","","","has coordinates,has Fobs","217006","2020-10-21","18:00:00",""
"2243014","8.8417","0.0003","11.3252","0.0003","25.7003","0.0008","90","","90","","90","","2573.47","0.14","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(pyridin-2-yl)-4-{[(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-5H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methoxy]methyl}pyridazine monohydrate","","- C27 H32 N4 O7 -","- C27 H32 N4 O7 -","- C108 H128 N16 O28 -","4","1","LH5910","Filali, Mouad; Elmsellem, Hicham; Hökelek, Tuncer; El-Ghayoury, Abdelkrim; Stetsiuk, Oleh; El Hadrami, El Mestafa; Ben-Tama, Abdessalam","Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6-bis(pyridin-2-yl)-4-{[(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-5H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methoxy]methyl}pyridazine monohydrate","Acta Crystallographica Section E","2019","75","8","1169","1174","10.1107/S2056989019009848","","","1.54184","CuKα","","0.0527","0.0475","","","0.1144","0.1207","","","","","","1.103","","","","has coordinates,has Fobs","217007","2020-10-21","18:00:00",""
"2243015","8.3146","0.0005","8.9424","0.0005","12.2388","0.0006","80.988","0.002","76.458","0.002","70.027","0.002","828.54","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(E)-3-[(4-Chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","","- C16 H15 Br Cl N3 S -","- C16 H15 Br Cl N3 S -","- C32 H30 Br2 Cl2 N6 S2 -","2","1","FF2160","Duruskari, Gulnara Sh.; Khalilov, Ali N.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2019","75","8","1175","1179","10.1107/S2056989019009885","","","0.71073","MoKα","","0.0387","0.0315","","","0.0723","0.0749","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","217008","2020-10-21","18:00:00",""
"2243016","16.2512","0.0004","7.6859","0.0002","13.0989","0.0003","90","","106.64","0.001","90","","1567.6","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Nonyl-2,3-dihydro-1H-indole-2,3-dione","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","VM2219","Rayni, Ibtissam; El Bakri, Youness; Lai, Chin-Hung; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1H-indole-2,3-dione","Acta Crystallographica Section E","2019","75","8","1140","1144","10.1107/S2056989019009691","","","1.54178","CuKα","","0.0377","0.0351","","","0.0935","0.096","","","","","","1.046","","","","has coordinates,has Fobs","217009","2020-10-21","18:00:00",""
"2243017","14.0919","0.0003","22.0127","0.0004","17.9648","0.0003","90","","93.95","0.001","90","","5559.46","0.18","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Scr-S-Hair-Clip-Porphyrin","(15,20-Bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(pyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane hemisolvate","","- C63.5 H32 Cl F10 N5 Ni S2 -","- C63.5 H32 Cl F10 N5 Ni S2 -","- C254 H128 Cl4 F40 N20 Ni4 S8 -","4","1","LH5902","Gutzeit, Florian; Näther, Christian; Herges, Rainer","Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(pyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane x-solvate (x > 1/2) showing a rare CN5 coordination","Acta Crystallographica Section E","2019","75","8","1180","1184","10.1107/S2056989019009836","","","0.71073","MoKα","","0.0505","0.0444","","","0.1242","0.1288","","","","","","1.047","","","","has coordinates,has Fobs","217010","2020-10-21","18:00:00",""
"2243018","10.0405","0.0002","14.6482","0.0004","14.6547","0.0004","100.745","0.001","93.83","0.002","98.497","0.002","2084.42","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Bis(mefloquinium) butanedioate ethanol monosolvate","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium butanedioate ethanol monosolvate","","- C40 H44 F12 N4 O7 -","- C40 H44 F12 N4 O7 -","- C80 H88 F24 N8 O14 -","2","1","HB7838","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(mefloquinium) butanedioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","8","1162","1168","10.1107/S2056989019009654","","","0.71073","MoKα","","0.1166","0.0741","","","0.1561","0.1797","","","","","","1.042","","","","has coordinates,has Fobs","217011","2020-10-21","18:00:00",""
"2243019","3.9117","0.0008","25.109","0.005","14.968","0.003","90","","97.07","0.03","90","","1459","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-{[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile","","- C16 H11 Cl2 N3 O -","- C16 H11 Cl2 N3 O -","- C64 H44 Cl8 N12 O4 -","4","1","LH5909","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile","Acta Crystallographica Section E","2019","75","8","1190","1194","10.1107/S2056989019009642","","","0.80246","synchrotron","","0.0476","0.0454","","","0.1206","0.123","","","","","","1.071","","","","has coordinates,has Fobs","217102","2020-10-21","18:00:00",""
"2243020","13.1997","0.0017","9.2923","0.0011","13.801","0.0017","90","","92.399","0.002","90","","1691.3","0.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[di-μ~3~-cyanido-di-μ~2~-cyanido-bis(μ~2~-2-ethylpyrazine)dicopper(I)iron(II)]","","- C16 H16 Cu2 Fe N8 -","- C16 H16 Cu2 Fe N8 -","- C64 H64 Cu8 Fe4 N32 -","4","0.5","RZ5262","Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Kucheriv, Olesia I.; Gural'skiy, Il'ya A.","Crystal structure of a low-spin poly[di-μ~3~-cyanido-di-μ~2~-cyanido-bis(μ~2~-2-ethylpyrazine)dicopper(I)iron(II)]","Acta Crystallographica Section E","2019","75","8","1205","1208","10.1107/S2056989019009496","","","0.71073","MoKα","","0.0425","0.0297","","","0.0615","0.065","","","","","","0.932","","","","has coordinates,has Fobs","217188","2020-10-21","18:00:00",""
"2243021","11.2057","0.0015","11.5054","0.0015","13.2983","0.001","94.026","0.004","94.942","0.003","107.558","0.003","1620.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Pentaaquacarbonatopentakis(glycine hydroxamato)nitratopentacopper(II)gadolinium(III) 3.5-hydrate","","- C11 H37 Cu5 Gd N11 O24.5 -","- C11 H36.998 Cu5 Gd N11 O24.499 -","- C22 H73.996 Cu10 Gd2 N22 O48.998 -","2","1","CQ2031","Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.","The crystal structures of {LnCu~5~}^3+^ (Ln = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue","Acta Crystallographica Section E","2019","75","8","1215","1223","10.1107/S205698901900999X","","","0.71073","MoKα","","0.0594","0.0343","","","0.0681","0.0762","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","217189","2020-10-21","18:00:00",""
"2243022","11.1083","0.0005","11.4991","0.0005","13.2894","0.0006","93.9235","0.0016","94.7713","0.0017","107.147","0.0017","1608.74","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Pentaaquacarbonatopentakis(glycine hydroxamato)nitratopentacopper(II)dysprosium(III) 3.28-hydrate","","- C11 H36.56 Cu5 Dy N11 O24.28 -","- C11 H36.56 Cu5 Dy N11 O24.28 -","- C22 H73.12 Cu10 Dy2 N22 O48.56 -","2","1","CQ2031","Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.","The crystal structures of {LnCu~5~}^3+^ (Ln = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue","Acta Crystallographica Section E","2019","75","8","1215","1223","10.1107/S205698901900999X","","","0.71073","MoKα","","0.0426","0.0307","","","0.0709","0.0757","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","217189","2020-10-21","18:00:00",""
"2243023","11.2027","0.0009","11.4955","0.0009","13.2467","0.001","94.001","0.003","94.784","0.003","107.518","0.003","1613","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Pentaaquacarbonatopentakis(glycine hydroxamato)nitratopentacopper(II)holmium(III) 3.445-hydrate","","- C11 H36.89 Cu5 Ho N11 O24.45 -","- C11 H36.89 Cu5 Ho N11 O24.445 -","- C22 H73.78 Cu10 Ho2 N22 O48.89 -","2","1","CQ2031","Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.","The crystal structures of {LnCu~5~}^3+^ (Ln = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue","Acta Crystallographica Section E","2019","75","8","1215","1223","10.1107/S205698901900999X","","","0.71073","MoKα","","0.0485","0.0334","","","0.0769","0.0824","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","217189","2020-10-21","18:00:00",""
"2243024","13.9181","0.0007","13.4336","0.0006","8.408","0.0004","90","","90","","90","","1572.05","0.13","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(E)-1-(4-Bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","","- C14 H8 Br Cl2 N3 O2 -","- C14 H8 Br Cl2 N3 O2 -","- C56 H32 Br4 Cl8 N12 O8 -","4","1","WM5507","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A.","Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (E)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (E)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2019","75","8","1199","1204","10.1107/S2056989019010004","","","0.71073","MoKα","","0.0463","0.0326","","","0.0743","0.0814","","","","","","1.02","","","","has coordinates,has Fobs","217190","2020-10-21","18:00:00",""
"2243025","13.8689","0.0007","13.3674","0.0007","8.362","0.0005","90","","90","","90","","1550.24","0.15","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(E)-1-(4-Chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","","- C14 H8 Cl3 N3 O2 -","- C14 H8 Cl3 N3 O2 -","- C56 H32 Cl12 N12 O8 -","4","1","WM5507","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A.","Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (E)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (E)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2019","75","8","1199","1204","10.1107/S2056989019010004","","","0.71073","MoKα","","0.0549","0.0369","","","0.0831","0.0914","","","","","","1.043","","","","has coordinates,has Fobs","217190","2020-10-21","18:00:00",""
"2243026","17.2718","0.0002","16.653","0.0001","22.4402","0.0002","90","","108.922","0.001","90","","6105.62","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] tetraiodocadmate","","- C26 H24 Cd I4 N6 -","- C26 H24 Cd I4 N6 -","- C208 H192 Cd8 I32 N48 -","8","2","LH5912","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.","Crystal structures of an imidazo[1,5-a]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt","Acta Crystallographica Section E","2019","75","8","1209","1214","10.1107/S2056989019009964","","","0.71073","MoKα","","0.0597","0.0349","","","0.0813","0.0961","","","","","","1.007","","","","has coordinates,has Fobs","217191","2020-10-21","18:00:00",""
"2243027","7.3959","0.0005","10.2889","0.0008","18.5155","0.001","88.208","0.005","95.033","0.005","108.916","0.005","1327.71","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] 1.5-chloride 0.5-nitrate trihydrate","","- C26 H30 Cl1.5 N6.5 O4.5 -","- C26 H30 Cl1.5 N6.5 O4.5 -","- C52 H60 Cl3 N13 O9 -","2","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.","Crystal structures of an imidazo[1,5-a]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt","Acta Crystallographica Section E","2019","75","8","1209","1214","10.1107/S2056989019009964","","x-ray","1.54178","CuKα","","0.0744","0.0473","","","0.1068","0.1207","","","","","","1.021","","","","has coordinates,has Fobs","217191","2020-10-21","18:00:00",""
"2243028","26.3146","0.0014","26.3146","0.0014","8.1205","0.0005","90","","90","","120","","4869.8","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C198 H198 N18 O54 -","18","1","HB7841","Caracelli, Ignez; Zukerman-Schpector, Julio; Schwab, Ricardo S.; da Silva, Everton M.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study","Acta Crystallographica Section E","2019","75","8","1232","1238","10.1107/S2056989019010284","","","0.71073","MoKα","","0.0816","0.0527","","","0.1273","0.1489","","","","","","1.054","","","","has coordinates,has Fobs","217237","2020-10-21","18:00:00",""
"2243029","4.2823","0.0006","6.2607","0.0009","11.5497","0.0017","96.701","0.005","93.93","0.005","90.575","0.005","306.76","0.08","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 Br2 O6 -","- C10 H10 Br2 O6 -","- C10 H10 Br2 O6 -","1","0.5","WM5512","Khotchasanthong, Kenika; Jittirattanakun, Siripak; Jiajaroen, Suwadee; Theppitak, Chatphorn; Chainok, Kittipong","Crystal structure and Hirshfeld surface analysis of 2,5-dibromoterephthalic acid ethylene glycol monosolvate","Acta Crystallographica Section E","2019","75","8","1228","1231","10.1107/S2056989019010260","","x-ray","0.71073","MoKα","","0.0283","0.0229","","","0.0502","0.052","","","","","","1.053","","","","has coordinates,has Fobs","217238","2020-10-21","18:00:00",""
"2243030","5.9406","0.0007","18.856","0.002","12.2375","0.0016","90","","96.863","0.004","90","","1361","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-6,6'-(Diazene-1,2-diyl)bis(1,10-phenanthrolin-5-ol) trichloromethane disolvate","","- C26 H16 Cl6 N6 O2 -","- C26 H16 Cl6 N6 O2 -","- C52 H32 Cl12 N12 O4 -","2","0.5","JJ2213","Ahmed, Muhib; Devereux, Michael; McKee, Vickie; McCann, Malachy; Rooney, A. Denise","(E)-6,6'-(Diazene-1,2-diyl)bis(1,10-phenanthrolin-5-ol) trichloromethane disolvate: a superconjugated ligand","Acta Crystallographica Section E","2019","75","8","1224","1227","10.1107/S205698901900954X","","","0.71073","MoKα","","0.0646","0.0441","","","0.1015","0.1114","","","","","","1.025","","","","has coordinates,has Fobs","217239","2020-10-21","18:00:00",""
"2243031","16.993","0.004","9.955","0.002","21.243","0.005","90","","99.531","0.004","90","","3544","1.4","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(3-Nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C152 H144 N16 O24 S8 -","8","2","HB7839","Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J.","Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones","Acta Crystallographica Section E","2019","75","8","1270","1273","10.1107/S2056989019010429","","","0.71073","MoKα","","0.1687","0.057","","","0.1155","0.1554","","","","","","0.938","","","","has coordinates,has Fobs","217320","2020-10-21","18:00:00",""
"2243032","17.478","0.003","10.4125","0.0019","9.7129","0.0017","90","","90","","90","","1767.6","0.5","298","2","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-(4-Nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","","Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J.","Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones","Acta Crystallographica Section E","2019","75","8","1270","1273","10.1107/S2056989019010429","","","0.71073","MoKα","","0.1209","0.0811","","","0.2162","0.2489","","","","","","1.013","","","","has coordinates,has Fobs","217320","2020-10-21","18:00:00",""
"2243033","11.7761","0.0002","11.8731","0.0002","18.2788","0.0003","92.501","0.002","94.696","0.002","116.609","0.002","2268.09","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Memantinium mesylate","(3,5-Dimethyladamantan-1-yl)ammonium methanesulfonate","","- C13 H25 N O3 S -","- C13 H25 N O3 S -","- C78 H150 N6 O18 S6 -","6","3","FY2137","Tuksar, Mihaela; Rubčić, Mirta; Meštrović, Ernest","(3,5-Dimethyladamantan-1-yl)ammonium methanesulfonate (memantinium mesylate): synthesis, structure and solid-state properties","Acta Crystallographica Section E","2019","75","8","1274","1279","10.1107/S2056989019009988","","x-ray","1.54184","CuKα","","0.051","0.0469","","","0.1279","0.133","","","","","","1.055","","","","has coordinates,has Fobs","217321","2020-10-21","18:00:00",""
"2243034","15.8843","0.0005","29.78","0.001","16.6629","0.0006","90","","109.554","0.0012","90","","7427.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido({6,6'-[(ethane-1,2-diylbis(methylazanediyl)]bis(methylene)}bis(2,4-di-tert-butylphenol))palladium(II) chlorido(2,4-di-tert-butyl-6-{[(2-{[(3,5-di-tert-butyl-2-hydroxyphenyl)methyl](methyl)amino}ethyl)(methyl)amino]methyl}phenolato)palladium(II) methanol 1.685-solvate 0.315-hydrate","","- C69.68 H118.37 Cl3 N4 O6 Pd2 -","- C69.685 H118.37 Cl3 N4 O6 Pd2 -","- C278.74 H473.48 Cl12 N16 O24 Pd8 -","4","1","LH5914","Graziano, Brendan J.; Wile, Bradley M.; Zeller, Matthias","Palladium(II) complexes of a bridging amine bis(phenolate) ligand featuring κ^2^ and κ^3^ coordination modes","Acta Crystallographica Section E","2019","75","8","1265","1269","10.1107/S2056989019010454","","","0.71073","MoKα","","0.0474","0.0333","","","0.0708","0.0759","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","217322","2020-10-21","18:00:00",""
"2243035","13.411","0.003","9.488","0.002","9.79","0.002","90","","90","","90","","1245.7","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate]","","- C5 H15 Br3 K N2 O0.5 -","- C5 H15 Br3 K N2 O0.5 -","- C20 H60 Br12 K4 N8 O2 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·ABr~3~·0.5H~2~O (A = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0153","0.015","","","0.0311","0.0311","","","","","","0.896","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2243036","13.477","0.003","9.5617","0.0019","9.85","0.002","90","","90","","90","","1269.3","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate]","","- C5 H15 Br3 N2 O0.5 Rb -","- C5 H15 Br3 N2 O0.5 Rb -","- C20 H60 Br12 N8 O2 Rb4 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·ABr~3~·0.5H~2~O (A = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0132","0.0128","","","0.0276","0.0276","","","","","","1.01","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2243037","13.61","0.003","9.7201","0.0019","9.977","0.002","90","","90","","90","","1319.9","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate]","","- C5 H15 Br3 Cs N2 O0.5 -","- C5 H15 Br3 Cs N2 O0.5 -","- C20 H60 Br12 Cs4 N8 O2 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·ABr~3~·0.5H~2~O (A = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0136","0.0134","","","0.0288","0.0289","","","","","","0.94","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2243038","8.956","0.0008","9.7922","0.0009","10.2945","0.0008","110.048","0.008","90.336","0.007","98.052","0.007","838.34","0.13","170","","170","","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-methylpyridine N-oxide)bis[diaquadibromidomanganese(II)]‒2-methylpyridine N-oxide (1/2)","","- C24 H36 Br4 Mn2 N4 O8 -","- C24 H36 Br4 Mn2 N4 O8 -","- C24 H36 Br4 Mn2 N4 O8 -","1","0.5","SU5505","Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine N-oxide","Acta Crystallographica Section E","2019","75","8","1284","1290","10.1107/S2056989019010557","","x-ray","0.71073","MoKα","","0.0584","0.0374","","","0.0735","0.08","","","","","","1.001","","","","has coordinates,has Fobs","217324","2020-10-21","18:00:00",""
"2243039","7.6354","0.0005","9.97","0.0008","11.898","0.001","111.98","0.007","100.36","0.006","97.737","0.006","805.71","0.12","170","","170","","","","","","","","","6","P -1","-P 1","2","","Bis(μ-3-methylpyridine N-oxide)bis[aquadibromido(3-methylpyridine N-oxide)manganese(II)]","","- C24 H32 Br4 Mn2 N4 O6 -","- C24 H32 Br4 Mn2 N4 O6 -","- C24 H32 Br4 Mn2 N4 O6 -","1","0.5","SU5505","Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine N-oxide","Acta Crystallographica Section E","2019","75","8","1284","1290","10.1107/S2056989019010557","","x-ray","0.71073","MoKα","","0.058","0.0399","","","0.09","0.0977","","","","","","1.015","","","","has coordinates,has Fobs","217324","2020-10-21","18:00:00",""
"2243040","13.5384","0.0007","9.5354","0.0004","13.7292","0.0007","90","","103.112","0.005","90","","1726.15","0.15","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-methylpyridine N-oxide)bis[dibromidomethanol(4-methylpyridine N-oxide)manganese(II)]","","- C26 H36 Br4 Mn2 N4 O6 -","- C26 H36 Br4 Mn2 N4 O6 -","- C52 H72 Br8 Mn4 N8 O12 -","2","0.5","SU5505","Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine N-oxide","Acta Crystallographica Section E","2019","75","8","1284","1290","10.1107/S2056989019010557","","x-ray","0.71073","MoKα","","0.0585","0.0431","","","0.1041","0.1116","","","","","","1.033","","","","has coordinates,has Fobs","217324","2020-10-21","18:00:00",""
"2243041","7.736","0.004","15.179","0.007","12.528","0.006","90","","100.055","0.004","90","","1448.5","1.2","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-pyridine N-oxide)bis[aquadibromido(pyridine N-oxide)manganese(II)]","","- C20 H24 Br4 Mn2 N4 O6 -","- C20 H24 Br4 Mn2 N4 O6 -","- C40 H48 Br8 Mn4 N8 O12 -","2","0.5","","Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine N-oxide","Acta Crystallographica Section E","2019","75","8","1284","1290","10.1107/S2056989019010557","","","0.71073","MoKα","","0.0465","0.0426","","","0.1072","0.1103","","","","","","1.13","","","","has coordinates,has Fobs","217324","2020-10-21","18:00:00",""
"2243042","29.403","0.005","7.9811","0.0014","6.7898","0.0013","90","","97.352","0.012","90","","1580.3","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Benzoyl-4-(4-methoxyphenyl)piperazine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0482","0.0353","","","0.0823","0.0891","","","","","","1.08","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243043","6.998","0.002","7.938","0.002","28.415","0.006","90","","92.2","0.03","90","","1577.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Fluorobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 F N2 O2 -","- C18 H19 F N2 O2 -","- C72 H76 F4 N8 O8 -","4","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.1384","0.0696","","","0.146","0.1899","","","","","","1.082","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243044","13.032","0.0011","13.247","0.0013","19.258","0.002","90","","90","","90","","3324.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chlorobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 Cl N2 O2 -","- C18 H19 Cl N2 O2 -","- C144 H152 Cl8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0812","0.0477","","","0.1108","0.127","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","217325","2020-10-21","18:00:00",""
"2243045","12.9119","0.0014","13.3664","0.0016","19.5019","0.0019","90","","90","","90","","3365.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Bromoobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 Br N2 O2 -","- C18 H19 Br N2 O2 -","- C144 H152 Br8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0651","0.045","","","0.1187","0.1308","","","","","","1.02","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243046","12.7671","0.0013","13.5429","0.0012","20.2542","0.0016","90","","90","","90","","3502","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Iodobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 I N2 O2 -","- C18 H19 I N2 O2 -","- C144 H152 I8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0807","0.0676","","","0.1409","0.1458","","","","","","1.176","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243047","9.7265","0.0006","12.9084","0.0009","24.861","0.001","90","","90","","90","","3121.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxybenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C144 H160 N16 O24 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0638","0.0406","","","0.0903","0.0997","","","","","","1.041","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243048","4.5787","0.0008","23.325","0.005","9.1828","0.0017","90","","90","","90","","980.7","0.3","93","2","93","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[piperazin-1-ium [di-μ-bromido-caesium]]","","- C4 H11 Br2 Cs N2 -","- C4 H11 Br2 Cs N2 -","- C16 H44 Br8 Cs4 N8 -","4","0.5","SU5506","Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and structures of piperazin-1-ium ABr~2~ (A = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing ABr~6~ trigonal prisms","Acta Crystallographica Section E","2019","75","8","1249","1252","10.1107/S2056989019010375","","","0.71073","MoKα","","0.0216","0.021","","","0.0548","0.0551","","","","","","1.098","","","","has coordinates,has Fobs","217326","2020-10-21","18:00:00",""
"2243049","4.4675","0.0013","23.036","0.007","9.021","0.003","90","","90","","90","","928.4","0.5","93","2","93","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[piperazin-1-ium [di-μ-bromido-rubidium]]","","- C4 H11 Br2 N2 Rb -","- C4 H11 Br2 N2 Rb -","- C16 H44 Br8 N8 Rb4 -","4","0.5","SU5506","Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and structures of piperazin-1-ium ABr~2~ (A = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing ABr~6~ trigonal prisms","Acta Crystallographica Section E","2019","75","8","1249","1252","10.1107/S2056989019010375","","","0.71073","MoKα","","0.0283","0.0228","","","0.0561","0.0572","","","","","","0.944","","","","has coordinates,has Fobs","217326","2020-10-21","18:00:00",""
"2243050","22.7465","0.0005","12.8779","0.0005","23.6033","0.0006","90","","115.384","0.0016","90","","6246.5","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(μ~3~-Benzene-1,2-dithiolato)hexacarbonylbis(μ~3~-1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)tricobaltmolybdenum","","- C20 H4 Co3 F12 Mo O6 S6 -","- C20 H4 Co3 F12 Mo O6 S6 -","- C160 H32 Co24 F96 Mo8 O48 S48 -","8","1","ZL2758","Nguyen, Neilson; Lough, Alan J.; Fekl, Ulrich","A molybdenum tris(dithiolene) complex coordinates to three bound cobalt centers in three different ways","Acta Crystallographica Section E","2019","75","8","1261","1264","10.1107/S2056989019010363","","","0.71073","MoKα","","0.0771","0.0445","","","0.0972","0.1117","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","217327","2020-10-21","18:00:00",""
"2243051","11.5352","0.0008","7.1711","0.0005","15.0606","0.001","90","","108.548","0.002","90","","1181.1","0.14","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(3,4-Dihydroxybenzylidene)-4-hydroxybenzohydrazide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","IS5518","Chantrapromma, Suchada; Kwong, Huey Chong; Prachumrat, Patcharawadee; Kobkeatthawin, Thawanrat; Chia, Tze Shyang; Quah, Ching Kheng","Crystal structure of (E)-N'-(3,4-dihydroxybenzylidene)-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2019","75","8","1280","1283","10.1107/S2056989019010442","","","0.71073","MoKα","","0.0636","0.0501","","","0.1445","0.1609","","","","","","1.053","","","","has coordinates,has Fobs","217328","2020-10-21","18:00:00",""
"2243052","13.1955","0.0003","10.0157","0.0002","14.5476","0.0003","90","","98.329","0.002","90","","1902.36","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(4-methoxyphenyl)-3a-methyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dithione","","- C19 H20 N4 O2 S2 -","- C19 H20 N4 O2 S2 -","- C76 H80 N16 O8 S8 -","4","1","EX2021","Asegbeloyin, Jonnie N.; Ifeanyieze, Kenechukwu J.; Okpareke, Obinna C.; Oyeka, Ebube E.; Groutso, Tatiana V.","Crystal structure and Hirshfeld surface analysis of a new dithioglycoluril: 1,4-bis(4-methoxyphenyl)-3a-methyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dithione","Acta Crystallographica Section E","2019","75","9","1297","1300","10.1107/S2056989019010764","","x-ray","1.54184","CuKα","","0.0559","0.047","","","0.1491","0.1556","","","","","","1.222","","","","has coordinates,has Fobs","217453","2020-10-21","18:00:00",""
"2243053","11.7624","0.0009","22.9546","0.0019","8.1934","0.0007","90","","93.717","0.002","90","","2207.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-5-{(2E,4E)-6-[(E)-1,3,3-trimethylindolin-2-ylidene]hexa-2,4-dien-1-ylidene}pyrimidine-2,4,6(1H,3H,5H)-trione","","- C25 H29 N3 O3 -","- C25 H29 N3 O3 -","- C100 H116 N12 O12 -","4","1","YK2125","Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Timofeeva, Tatiana V.","Synthesis and structure of push‒pull merocyanines based on barbituric and thiobarbituric acid","Acta Crystallographica Section E","2019","75","9","1306","1310","10.1107/S2056989019011071","","","0.71073","MoKα","","0.0841","0.0482","","","0.1004","0.117","","","","","","1.017","","","","has coordinates,has Fobs","217552","2020-10-21","18:00:00",""
"2243054","16.1504","0.0006","8.1264","0.0003","15.6487","0.0006","90","","108.849","0.001","90","","1943.67","0.13","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-2-sulfanylidene-5-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]dihydropyrimidine-4,6(1H,5H)-dione","","- C21 H25 N3 O2 S -","- C21 H25 N3 O2 S -","- C84 H100 N12 O8 S4 -","4","1","","Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Timofeeva, Tatiana V.","Synthesis and structure of push‒pull merocyanines based on barbituric and thiobarbituric acid","Acta Crystallographica Section E","2019","75","9","1306","1310","10.1107/S2056989019011071","","","0.71073","MoKα","","0.0728","0.046","","","0.1203","0.1414","","","","","","1.038","","","","has coordinates,has Fobs","217552","2020-10-21","18:00:00",""
"2243055","9.852","0.002","12.789","0.002","14.875","0.003","90","","106.932","0.007","90","","1793","0.6","200","2","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Isopropyl-N-methyltryptaminium fumarate","[2-(1H-Indol-3-yl)ethyl](methyl)propan-2-ylazanium 3-carboxyprop-2-enoate","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","The fumarate salts of the N-isopropyl-N-methyl derivatives of DMT and psilocin","Acta Crystallographica Section E","2019","75","9","1316","1320","10.1107/S2056989019011253","","","0.71073","MoKα","","0.0661","0.0486","","","0.1142","0.1269","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","217553","2020-10-21","18:00:00",""
"2243056","29.507","0.003","8.7445","0.0008","17.3659","0.0018","90","","123.389","0.003","90","","3741.3","0.7","200","2","200.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Hydroxy-N-isopropyl-N-methyltryptaminium fumarate monohydrate","[2-(4-Hydroxy-1H-indol-3-yl)ethyl](methyl)propan-2-ylazanium 3-carboxyprop-2-enoate monohydrate","","- C18 H26 N2 O6 -","- C18 H26 N2 O6 -","- C144 H208 N16 O48 -","8","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","The fumarate salts of the N-isopropyl-N-methyl derivatives of DMT and psilocin","Acta Crystallographica Section E","2019","75","9","1316","1320","10.1107/S2056989019011253","","","0.71073","MoKα","","0.05","0.0408","","","0.0902","0.0957","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","217553","2020-10-21","18:00:00",""
"2243057","8.1752","0.0006","13.2684","0.0008","12.7391","0.001","90","","100.105","0.003","90","","1360.4","0.17","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Bis(4-hydroxyphenyl)-1H-imidazol-3-ium chloride","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C60 H52 Cl4 N8 O8 -","4","1","SU5504","Mertens, R. Tyler; Parkin, Sean R.; Awuah, Samuel G.","Synthesis and crystal structure of 1,3-bis(4-hydroxyphenyl)-1H-imidazol-3-ium chloride","Acta Crystallographica Section E","2019","75","9","1311","1315","10.1107/S2056989019011058","","","0.71073","MoKα","","0.1135","0.0489","","","0.0658","0.0833","","","","","","1.008","","","","has coordinates,has Fobs","217554","2020-10-21","18:00:00",""
"2243058","14.4612","0.0007","20.8473","0.001","32.0864","0.0015","90","","95.508","0.001","90","","9628.6","0.8","83","2","83","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{[2-(Anthracen-9-yl)phenolato-κO]bis(tetrahydrofuran)ytterbium(III)}-tris[μ-2-(anthracen-9-yl)phenolato]-κ^2^O:O;κ^2^O:O;κO:1,2-η,κO]-{[2-(anthracen-9-yl)phenolato-κO]ytterbium(II)} toluene trisolvate","","- C129 H105 O7 Yb2 -","- C129 H105 O7 Yb2 -","- C516 H420 O28 Yb8 -","4","1","","Berg, David J.; Twamley, Brendan","Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand","Acta Crystallographica Section E","2019","75","9","1367","1371","10.1107/S205698901901154X","","","0.71073","MoKα","","0.0756","0.0481","","","0.1029","0.1151","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","217670","2020-10-21","18:00:00",""
"2243059","8.942","0.0002","15.113","0.0003","11.5829","0.0003","90","","100.132","0.001","90","","1540.91","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(Prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","1","LH5915","Filali, Mouad; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Chakroune, Said; Ben-Tama, Abdessalam; El Hadrami, El Mestafa","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 4-[(prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine","Acta Crystallographica Section E","2019","75","9","1321","1326","10.1107/S2056989019011186","","","1.54178","CuKα","","0.0416","0.0367","","","0.097","0.1012","","","","","","1.041","","","","has coordinates,has Fobs","217671","2020-10-21","18:00:00",""
"2243060","8.2767","0.0005","8.5106","0.0005","10.55","0.0007","90","","99.443","0.003","90","","733.07","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Trifluoromethyl-1H-pyrrolo[1,2-c]oxazol-1-one","","- C7 H4 F3 N O2 -","- C7 H4 F3 N O2 -","- C28 H16 F12 N4 O8 -","4","1","HB7843","Zreigh, Mohamed M.; Adams, Harry; Jackson, Richard F. W.; Robertson, Craig C.","The first crystal structure of the pyrrolo[1,2-c]oxazole ring system","Acta Crystallographica Section E","2019","75","9","1336","1338","10.1107/S2056989019011095","","","0.71073","MoKα","","0.0313","0.0299","","","0.077","0.0782","","","","","","1.077","","","","has coordinates,has Fobs","217672","2020-10-21","18:00:00",""
"2243061","16.0762","0.0004","10.1827","0.0002","18.341","0.0003","90","","108.785","0.002","90","","2842.48","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[butyltris(1H-pyrazol-1-yl)borato]iron(II)","","- C26 H36 B2 Fe N12 -","- C26 H36 B2 Fe N12 -","- C104 H144 B8 Fe4 N48 -","4","1","FF2161","Seredyuk, Maksym; Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Slobodyanik, Mykola S.","Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II)","Acta Crystallographica Section E","2019","75","9","1327","1330","10.1107/S2056989019011137","","","0.71073","MoKα","","0.0949","0.0528","","","0.1335","0.1844","","","","","","0.78","","","","has coordinates,has Fobs","217673","2020-10-21","18:00:00",""
"2243062","12.0914","0.0008","9.4741","0.0006","12.7761","0.0009","90","","92.943","0.004","90","","1461.64","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","lapachol acetate","3-(3-Methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl acetate","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","EX2023","Martínez-Cabrera, Miguel A.; Macías, Mario A.; Ferreira, Francisco; Pandolfi, Enrique; Barúa, Javier; Suescun, Leopoldo","Crystal structure and Hirshfeld surface analysis of lapachol acetate 80 years after its first synthesis","Acta Crystallographica Section E","2019","75","9","1362","1366","10.1107/S2056989019011393","","","1.54178","CuKα","","0.0812","0.0479","","","0.1149","0.1356","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","217674","2020-10-21","18:00:00",""
"2243063","34.882","0.004","6.5332","0.0011","13.6021","0.0016","90","","100.599","0.014","90","","3046.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3aS,5S,7aS,7bS,9aR,10R,12aR,12bS)-7b-Hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'R)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[d]indeno[4,5-b]azepin-5-yl acetate","","- C32 H51 N O6 -","- C32 H51 N O6 -","- C128 H204 N4 O24 -","4","1","EX2022","Suescun, Leopoldo; Heinzen, Horacio","Absolute structure of (3aS,5S,7aS,7bS,9aR,10R,12aR,12bS)-7b-hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'R)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[d]indeno[4,5-b]azepin-5-yl acetate from 62-year-old crystals","Acta Crystallographica Section E","2019","75","9","1348","1351","10.1107/S205698901901140X","","","1.54178","CuKα","","0.0549","0.0504","","","0.1306","0.1346","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","217675","2020-10-21","18:00:00",""
"2243064","7.6595","0.0003","20.9841","0.0007","7.8641","0.0003","90","","90","","90","","1263.98","0.08","150","0.1","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","5-[(Prop-2-en-1-yl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-1H-tetrazole","","- C11 H9 F3 N4 S -","- C11 H9 F3 N4 S -","- C44 H36 F12 N16 S4 -","4","1","HB7842","Slyvka, Yurii; Goreshnik, Evgeny; Pokhodylo, Nazariy; Mys`kiv, Marian","Crystal structure, Hirshfeld surface analysis and computational studies of 5-[(prop-2-en-1-yl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-1H-tetrazole","Acta Crystallographica Section E","2019","75","9","1331","1335","10.1107/S2056989019011459","","","0.71073","MoKα","","0.0451","0.0352","","","0.0737","0.0792","","","","","","1.071","","","","has coordinates,has Fobs","217676","2020-10-21","18:00:00",""
"2243065","10.6043","0.0005","9.4168","0.0004","16.4423","0.0007","90","","107.886","0.0017","90","","1562.55","0.12","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetramethylammonium 1,1,7,7-tetracyanohepta-2,4,6-trienide","","- C15 H17 N5 -","- C15 H17 N5 -","- C60 H68 N20 -","4","1","NR2075","Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Fonari, Marina; Timofeeva, Tatiana V.","Crystal structure of tetramethylammonium 1,1,7,7-tetracyanohepta-2,4,6-trienide","Acta Crystallographica Section E","2019","75","9","1344","1347","10.1107/S2056989019011411","","","0.71073","MoKα","","0.1271","0.0666","","","0.1804","0.2214","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","217677","2020-10-21","18:00:00",""
"2243066","5.8479","0.0005","8.5738","0.0007","15.2439","0.0012","80.693","0.006","83.147","0.007","78.164","0.007","735.27","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methylbenzyl)-6-phenylpyridazin-3(2H)-one","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","MW2146","Daoui, Said; Cinar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Karrouchi, Khalid; Benchat, Noureddine; Baydere, Cemile; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one","Acta Crystallographica Section E","2019","75","9","1352","1356","10.1107/S2056989019011551","","","0.71073","MoKα","","0.1366","0.0682","","","0.1762","0.2081","","","","","","1.052","","","","has coordinates,has Fobs","217678","2020-10-21","18:00:00",""
"2243067","9.2784","0.0002","10.7925","0.0003","11.6696","0.0002","74.464","0.002","74.179","0.002","85.073","0.002","1083.11","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (E)-2-cyano-3-(3-methylthiophen-2-yl)acrylate","","- C11 H11 N O2 S -","- C11 H11 N O2 S -","- C44 H44 N4 O8 S4 -","4","2","","Al-Refai, Mahmoud; Ali, Basem F.; Said, Ala'a B.; Geyer, Armin; Marsch, Michael; Harms, Klaus","Synthesis, characterization, crystal structure and supramolecularity of ethyl (E)-2-cyano-3-(3-methylthiophen-2-yl)acrylate and a new polymorph of ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate","Acta Crystallographica Section E","2019","75","9","1357","1361","10.1107/S2056989019011435","","","1.54186","CuKα","","0.0441","0.0408","","","0.1192","0.1221","","","","","","1.104","","","","has coordinates,has Fobs","217679","2020-10-21","18:00:00",""
"2243068","11.5907","0.0003","6.6883","0.0002","13.4837","0.0003","90","","107.859","0.002","90","","994.92","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","1","","Al-Refai, Mahmoud; Ali, Basem F.; Said, Ala'a B.; Geyer, Armin; Marsch, Michael; Harms, Klaus","Synthesis, characterization, crystal structure and supramolecularity of ethyl (E)-2-cyano-3-(3-methylthiophen-2-yl)acrylate and a new polymorph of ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate","Acta Crystallographica Section E","2019","75","9","1357","1361","10.1107/S2056989019011435","","","1.54186","CuKα","","0.034","0.0334","","","0.0997","0.1003","","","","","","1.093","","","","has coordinates,has Fobs","217679","2020-10-21","18:00:00",""
"2243069","11.8576","0.0005","13.2995","0.0006","14.3948","0.0006","90","","110.363","0.003","90","","2128.2","0.16","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol","","- C27 H26 O Si -","- C27 H26 O Si -","- C108 H104 O4 Si4 -","4","1","SU5509","Williams, Alexandra; Brown, Michelle; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of 2-methyl-1,1,2,3,3-pentaphenyl-2-silapropane and 2-methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol","Acta Crystallographica Section E","2019","75","9","1339","1343","10.1107/S2056989019011265","","","1.54178","CuKα","","0.1175","0.0616","","","0.1417","0.1705","","","","","","0.973","","","","has coordinates,has Fobs","217680","2020-10-21","18:00:00",""
"2243070","10.3879","0.0007","10.5037","0.0007","13.635","0.0009","68.8212","0.0007","70.6364","0.0007","84.7947","0.0008","1308.06","0.15","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","","2-Methyl-1,1,2,3,3-pentaphenyl-2-silapropane","","- C33 H30 Si -","- C33 H30 Si -","- C66 H60 Si2 -","2","1","","Williams, Alexandra; Brown, Michelle; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of 2-methyl-1,1,2,3,3-pentaphenyl-2-silapropane and 2-methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol","Acta Crystallographica Section E","2019","75","9","1339","1343","10.1107/S2056989019011265","","","0.71073","MoKα","","0.0601","0.0448","","","0.11","0.1204","","","","","","1.076","","","","has coordinates,has Fobs","217680","2020-10-21","18:00:00",""
"2243071","3.9834","0.0007","13.471","0.002","25.661","0.004","90","","92.736","0.004","90","","1375.4","0.4","294","","294","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-(3-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one","","- C15 H9 Br Cl2 O -","- C15 H9 Br Cl2 O -","- C60 H36 Br4 Cl8 O4 -","4","1","QM2132","Bindya, S.; Chidan Kumar, C. S.; Naveen, S.; Siddaraju, B. P.; Quah, Ching Kheng; Md. Abu Raihan","Crystal structure and Hirshfeld surface analysis of a bromochalcone: (E)-1-(3-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica, Section E","2019","75","2","264","267","10.1107/S205698901900104X","","x-ray","0.71073","MoKα","","0.0689","0.041","","","0.1116","0.1241","","","","","","1.044","","","","has coordinates,has Fobs","217870","2020-10-21","18:00:00",""
"2243072","11.7579","0.0004","15.0584","0.0005","7.1103","0.0003","90","","90","","90","","1258.92","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-{[(2-Hydroxyphenyl)methylidene]amino}morpholine-4-carbothioamide","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C48 H60 N12 O8 S4 -","4","1","MW2147","Tran Buu, Dang; Duong Ba, Vu; Khoi Nguyen Hoang, Minh; Vu Quoc, Trung; Duong Khanh, Linh; Oanh Doan Thi, Yen; Van Meervelt, Luc","Synthesis and redetermination of the crystal structure of salicylaldehyde N(4)-morpholinothiosemicarbazone","Acta Crystallographica Section E","2019","75","9","1389","1393","10.1107/S2056989019011812","","x-ray","0.71073","MoKα","","0.0385","0.0335","","","0.0833","0.0873","","","","","","1.073","","","","has coordinates,has Fobs","217894","2020-10-21","18:00:00",""
"2243073","13.827","0.002","26.243","0.004","8.1218","0.0015","90","","95.678","0.012","90","","2932.6","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[3,3-diethyl-1-(phenylimino-κN)thiourea-κS]silver hexafluoridophosphate","","- C22 H30 Ag F6 N6 P S2 -","- C22 H30 Ag F6 N6 P S2 -","- C88 H120 Ag4 F24 N24 P4 S8 -","4","1","","Groner, Vincent M.; Larson, Garrett E.; Kan, Yuwei; Roll, Mark F.; Moberly, James G.; Waynant, Kristopher V.","The synthesis and crystal structure of bis[3,3-diethyl-1-(phenylimino-κN)thiourea-κS]silver hexafluoridophosphate","Acta Crystallographica Section E","2019","75","9","1394","1398","10.1107/S2056989019011824","","x-ray","0.71073","MoKα","","0.0982","0.0394","","","0.0806","0.1006","","","","","","0.995","","","","has coordinates,has Fobs","217895","2020-10-21","18:00:00",""
"2243074","9.4977","0.0002","9.3635","0.0002","19.8978","0.0004","90","","102.752","0.001","90","","1725.9","0.06","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 1-(2-iodobenzoyl)-cyclopent-3-ene-1-carboxylate","","- C17 H19 I O3 -","- C17 H19 I O3 -","- C68 H76 I4 O12 -","4","1","WM5513","Yin, Dejing","Synthesis and crystal structure of tert-butyl 1-(2-iodobenzoyl)cyclopent-3-ene-1-carboxylate","Acta Crystallographica Section E","2019","75","9","1383","1385","10.1107/S2056989019011514","","","1.54178","CuKα","","0.0631","0.051","","","0.1205","0.1308","","","","","","1.057","","","","has coordinates","217896","2020-10-21","18:00:00",""
"2243075","12.4682","0.0004","14.6397","0.0005","8.3524","0.0003","90","","91.392","0.002","90","","1524.12","0.09","299.65","","299.65","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-{2-[2-(2-chloroethoxy)ethoxy]ethyl}indoline-2,3-dione","","- C14 H15 Br Cl N O4 -","- C14 H15 Br Cl N O4 -","- C56 H60 Br4 Cl4 N4 O16 -","4","1","LH5913","Abdellaoui, Omar; Hökelek, Tuncer; Capet, Frédéric; Renard, Catherine; Haoudi, Amal; Skalli, Mohamed Khalid; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and DFT studies of 5-bromo-1-{2-[2-(2-chloroethoxy)ethoxy]ethyl}indoline-2,3-dione","Acta Crystallographica Section E","2019","75","9","1372","1378","10.1107/S2056989019011617","","","0.71073","MoKα","","0.0565","0.0376","","","0.0905","0.0992","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","217897","2020-10-21","18:00:00",""
"2243076","6.8072","0.0003","8.5792","0.0004","15.801","0.0007","100.365","0.001","99.433","0.001","104.984","0.001","855.09","0.07","296","","296","","","","","","","","","3","P -1","-P 1","2","","(E)-3-(2-Hydroxy-4-methylphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O5 -","- C19 H20 O5 -","- C38 H40 O10 -","2","1","JJ2214","Jumaah, Maadh; Kwong, Huey Chong; Khairuddean, Melati","Crystal structure of (E)-3-(2-hydroxy-4-methylphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","9","1379","1382","10.1107/S2056989019011289","","","0.71073","MoKα","","0.0825","0.0522","","","0.145","0.1706","","","","","","1.053","","","","has coordinates,has Fobs","217898","2020-10-21","18:00:00",""
"2243077","7.7077","0.0002","8.0226","0.0002","8.4526","0.0003","90","","90","","90","","522.67","0.03","100","2","100.15","","","","","","","","","4","I m m a","-I 2b 2","74","","Diamminedichloridozinc","","- Cl2 H6 N2 Zn -","- Cl2 H6 N2 Zn -","- Cl8 H24 N8 Zn4 -","4","0.25","WM5517","Ivšić, Trpimir; Bi, David Wenhua; Magrez, Arnaud","New refinement of the crystal structure of Zn(NH~3~)~2~Cl~2~ at 100K","Acta Crystallographica Section E","2019","75","9","1386","1388","10.1107/S2056989019011757","","","0.71073","MoKα","","0.0163","0.0151","","","0.035","0.0356","","","","","","1.041","","","","has coordinates,has Fobs","217899","2020-10-21","18:00:00",""
"2243078","33.0258","0.0007","5.4412","0.0001","22.4342","0.0004","90","","107.203","0.002","90","","3851.07","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-2-Oxo-N'-(3,4,5-trimethoxybenzylidene)-2H-chromene-3-carbohydrazide dimethyl sulfoxide hemisolvate","","- C21 H21 N2 O6.5 S0.5 -","- C21 H21 N2 O6.5 S0.5 -","- C168 H168 N16 O52 S4 -","8","1","LH5917","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Capelini, Camiola; Câmara, Vitoria R.F.; da Silva, Edson F.; Carvalho, Samir A.","Crystal structures and Hirshfeld surface analyses of (E)-N'-benzylidene-2-oxo-2H-chromene-3-carbohydrazide and the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-trimethoxybenzylidene)-2H-chromene-3-carbohydrazide: lattice energy and intermolecular interaction energy calculations for the former","Acta Crystallographica Section E","2019","75","10","1403","1410","10.1107/S2056989019012015","","x-ray","0.71075","MoKα","","0.0344","0.0315","","","0.0842","0.086","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","217958","2020-10-21","18:00:00",""
"2243079","5.6715","0.0001","7.4164","0.0001","15.9819","0.0003","88.369","0.001","84.147","0.001","82.961","0.002","663.6","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(E)-N'-Benzylidene-2-oxo-2H-chromene-3-carbohydrazide","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C34 H24 N4 O6 -","2","1","LH5917","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Capelini, Camiola; Câmara, Vitoria R.F.; da Silva, Edson F.; Carvalho, Samir A.","Crystal structures and Hirshfeld surface analyses of (E)-N'-benzylidene-2-oxo-2H-chromene-3-carbohydrazide and the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-trimethoxybenzylidene)-2H-chromene-3-carbohydrazide: lattice energy and intermolecular interaction energy calculations for the former","Acta Crystallographica Section E","2019","75","10","1403","1410","10.1107/S2056989019012015","","x-ray","1.54178","CuKα","","0.0334","0.0326","","","0.1028","0.1041","","","","","","0.876","","","","has coordinates,has Fobs","217958","2020-10-21","18:00:00",""
"2243080","7.1809","0.0002","21.4466","0.0005","8.9173","0.0002","90","","92.784","0.002","90","","1371.7","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C60 H48 Cl4 N4 O12 -","4","1","LH5918","Hayani, Sonia; Filali Baba, Yassir; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Sebbar, Nada Kheira; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2019","75","10","1411","1417","10.1107/S2056989019012283","","","1.54178","CuKα","","0.089","0.0783","","","0.1725","0.1783","","","","","","1.127","","","","has coordinates,has Fobs","218066","2020-10-21","18:00:00",""
"2243081","6.7559","0.0001","16.9258","0.0002","19.0611","0.0003","110.447","0.001","96.854","0.002","93.37","0.001","2015.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl benzoate","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C80 H76 N12 O16 S4 -","4","2","SU5508","NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.","The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives","Acta Crystallographica Section E","2019","75","10","1436","1444","10.1107/S2056989019011915","","","0.71073","MoKα","","0.0877","0.0596","","","0.184","0.2256","","","","","","0.83","","","","has coordinates,has disorder,has Fobs","218155","2020-10-21","18:00:00",""
"2243082","6.7802","0.0001","17.2671","0.0004","17.3089","0.0004","108.224","0.001","99.084","0.001","96.72","0.001","1870.5","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl isobutyrate 0.25-hydrate","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 2-methylpropanoate 0.25-hydrate","","- C17 H21.5 N3 O4.25 S -","- C17 H21.5 N3 O4.25 S -","- C68 H86 N12 O17 S4 -","4","2","SU5508","NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.","The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives","Acta Crystallographica Section E","2019","75","10","1436","1444","10.1107/S2056989019011915","","","0.71073","MoKα","","0.0718","0.053","","","0.1503","0.1686","","","","","","1.038","","","","has coordinates,has disorder","218155","2020-10-21","18:00:00",""
"2243083","11.415","0.0003","12.4021","0.0003","13.2305","0.0003","71.982","0.001","89.829","0.001","83.114","0.001","1767.18","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl propionate","","- C16 H19 N3 O4 S -","- C16 H19 N3 O4 S -","- C64 H76 N12 O16 S4 -","4","2","SU5508","NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.","The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives","Acta Crystallographica Section E","2019","75","10","1436","1444","10.1107/S2056989019011915","","","0.71073","MoKα","","0.0482","0.0371","","","0.0977","0.106","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","218155","2020-10-21","18:00:00",""
"2243084","10.7427","0.0001","11.0828","0.0002","20.8969","0.0003","93.186","0.001","103.945","0.004","98.489","0.002","2377.4","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl cinnamate chloroform hemisolvate","","- C22.5 H21.5 Cl1.5 N3 O4 S -","- C22.5 H21.5 Cl1.5 N3 O4 S -","- C90 H86 Cl6 N12 O16 S4 -","4","2","SU5508","NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.","The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives","Acta Crystallographica Section E","2019","75","10","1436","1444","10.1107/S2056989019011915","","","0.71073","MoKα","","0.0708","0.0581","","","0.184","0.1952","","","","","","1.088","","","","has coordinates,has Fobs","218155","2020-10-21","18:00:00",""
"2243085","17.9667","0.0004","7.915","0.0001","17.6995","0.0005","90","","110.673","0.001","90","","2354.92","0.09","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-7-methoxy-1,8-bis(2,4,6-trichlorobenzoyl)naphthalene","7-Methoxy-1,8-bis[(2,4,6-trichlorophenyl)carbonyl]naphthalen-2-ol","","- C25 H12 Cl6 O4 -","- C25 H12 Cl6 O4 -","- C100 H48 Cl24 O16 -","4","1","","Muto, Toyokazu; Iida, Kikuko; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure and Hirshfeld surface analysis of 2-hydroxy-7-methoxy-1,8-bis(2,4,6-trichlorobenzoyl)naphthalene","Acta Crystallographica Section E","2019","75","10","1418","1422","10.1107/S2056989019012118","","","1.54187","CuKα","","0.0496","0.0448","","","0.1227","0.1259","","","","","","1.058","","","","has coordinates,has Fobs","218156","2020-10-21","18:00:00",""
"2243086","26.406","0.002","9.5558","0.0009","7.1019","0.0006","90","","101.076","0.002","90","","1758.6","0.3","100","2","99.99","","","","","","","","","5","C 1 c 1","C -2yc","9","","2,4-Dichlorophenol‒ 2,4-dichloro-6-{[(3-hydroxypropyl)ammonio]methyl}phenolate (1/1)","","- C16 H17 Cl4 N O3 -","- C16 H17 Cl4 N O3 -","- C64 H68 Cl16 N4 O12 -","4","1","FY2140","Uprety, Bhawna; Arderne, Charmaine","The crystal structure of the zwitterionic co-crystal of 2,4-dichloro-6-{[(3-hydroxypropyl)ammonio]methyl}phenolate and 2,4-dichlorophenol","Acta Crystallographica Section E","2019","75","10","1452","1455","10.1107/S2056989019012544","","","0.71073","MoKα","","0.0413","0.0368","","","0.0897","0.0917","","","","","","1.03","","","","has coordinates,has Fobs","218157","2020-10-21","18:00:00",""
"2243087","9.9949","0.0005","23.546","0.001","10.2919","0.0006","90","","108.334","0.006","90","","2299.1","0.2","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Bromo-N-[(3,6-di-tert-butyl-9H-carbazol-1-yl)methylidene]aniline","","- C27 H29 Br N2 -","- C27 H29 Br N2 -","- C108 H116 Br4 N8 -","4","1","IS5522","Kubono, Koji; Matsumoto, Taisuke; Taneda, Masatsugu","Crystal structure of 4-bromo-N-[(3,6-di-tert-butyl-9H-carbazol-1-yl)methylidene]aniline","Acta Crystallographica Section E","2019","75","10","1429","1431","10.1107/S2056989019012374","","x-ray","0.71075","MoKα","","0.0421","0.0335","","","0.0731","0.076","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","218158","2020-10-21","18:00:00",""
"2243088","17.5093","0.0007","7.8052","0.0003","30.3155","0.0013","90","","90","","90","","4143","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate","","- C17 H33 N3 O5 S -","- C17 H33 N3 O5 S -","- C136 H264 N24 O40 S8 -","8","2","VM2221","Wickramasinhage, Ravindra N.; McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim","The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate","Acta Crystallographica Section E","2019","75","10","1445","1451","10.1107/S2056989019012003","","","1.54184","CuKα","","0.0711","0.0596","","","0.1581","0.1725","","","","","","1.029","","","","has coordinates,has Fobs","218159","2020-10-21","18:00:00",""
"2243089","8.5614","0.0008","15.6055","0.0012","10.0527","0.0009","90","","95.031","0.003","90","","1337.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{(1E)-[(E)-2-(2,6-Dichlorobenzylidene)hydrazin-1-\ ylidene]methyl}phenol","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C56 H40 Cl8 N8 O4 -","4","1","HB7852","Manawar, Rohit B.; Gondaliya, Mitesh B.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-{(1E)-[(E)-2-(2,6-Dichlorobenzylidene)hydrazin-1-ylidene]methyl}phenol: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2019","75","10","1423","1428","10.1107/S2056989019012349","","","0.71073","MoKα","","0.0702","0.0439","","","0.1184","0.1383","","","","","","1.052","","","","has coordinates,has Fobs","218160","2020-10-21","18:00:00",""
"2243090","7.4051","0.001","10.6213","0.0015","18.569","0.003","90","","94.117","0.002","90","","1456.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","HB7854","Tan, Sang Loon; Azizan, Ainnul Hamidah Syahadah; Jotani, Mukesh M.; Tiekink, Edward R. T.","3,3-Bis(2-hydroxyethyl)-1-[(4-methylphenyl)carbonyl]thiourea: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2019","75","10","1472","1478","10.1107/S2056989019012581","","","0.71073","MoKα","","0.0674","0.039","","","0.085","0.0984","","","","","","1.035","","","","has coordinates,has Fobs","218246","2020-10-21","18:00:00",""
"2243091","9.7572","0.0001","11.703","0.0002","11.7602","0.0002","74.419","0.001","80.114","0.001","67.285","0.002","1189.7","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Diisopropyldithiocarbamato)triphenyltin(IV)","","- C25 H29 N S2 Sn -","- C25 H29 N S2 Sn -","- C50 H58 N2 S4 Sn2 -","2","1","HB7851","Haezam, Farah Natasha; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","(N,N'-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2019","75","10","1479","1485","10.1107/S2056989019012490","","","1.54184","CuKα","","0.0151","0.015","","","0.0399","0.04","","","","","","0.997","","","","has coordinates,has Fobs","218247","2020-10-21","18:00:00",""
"2243092","8.671","0.0004","15.6756","0.0007","20.2284","0.0009","90","","93.036","0.002","90","","2745.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5''-(2-Chlorobenzylidene)-4'-(2-chlorophenyl)-1'-methyldispiro[acenaphthene-1,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C34 H28 Cl2 N2 O2 -","- C34 H28 Cl2 N2 O2 -","- C136 H112 Cl8 N8 O8 -","4","1","JJ2215","Sribala, R.; Indhumathi, S.; Krishnakumar, R.V.; Srinivasan, N.","Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine‒methyl exchange rule","Acta Crystallographica Section E","2019","75","10","1456","1462","10.1107/S2056989019012428","","","0.71073","MoKα","","0.0739","0.0435","","","0.1012","0.1223","","","","","","1.015","","","","has coordinates,has Fobs","218248","2020-10-21","18:00:00",""
"2243093","8.7507","0.0005","15.9089","0.0008","20.2879","0.001","90","","92.935","0.002","90","","2820.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-5''-(2-methylbenzylidene)-4'-(2-methylphenyl)dispiro[acenaphthene-1,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C144 H136 N8 O8 -","4","1","JJ2215","Sribala, R.; Indhumathi, S.; Krishnakumar, R.V.; Srinivasan, N.","Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine‒methyl exchange rule","Acta Crystallographica Section E","2019","75","10","1456","1462","10.1107/S2056989019012428","","","0.71073","MoKα","","0.0835","0.0445","","","0.1046","0.1214","","","","","","1.021","","","","has coordinates,has Fobs","218248","2020-10-21","18:00:00",""
"2243094","6.095","0.003","10.215","0.004","17.995","0.008","84.781","0.015","85.688","0.015","76.012","0.015","1081","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide","","- C24 H31 N3 O2 -","- C24 H31 N3 O2 -","- C48 H62 N6 O4 -","2","1","","Asgarova, Ayten R.","Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide","Acta Crystallographica Section E","2019","75","10","1467","1471","10.1107/S205698901901243X","","","0.71073","MoKα","","0.0846","0.0552","","","0.1418","0.1633","","","","","","1.025","","","","has coordinates,has Fobs","218249","2020-10-21","18:00:00",""
"2243095","7.9556","0.0006","14.8583","0.0011","17.3362","0.0012","90","","95.556","0.004","90","","2039.6","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2''',6,6'''-Tetramethoxy-3,2':5',3'':6'',3'''-quaterpyridine","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C96 H88 N16 O16 -","4","1","","Moon, Suk-Hee; Kim, Jinho; Park, Ki-Min; Kang, Youngjin","Crystal structure and Hirshfeld surface analysis of 2,2''',6,6'''-tetramethoxy-3,2':5',3'':6'',3'''-quaterpyridine","Acta Crystallographica Section E","2019","75","10","1511","1514","10.1107/S205698901901274X","","","0.71073","MoKα","","0.0742","0.0537","","","0.1447","0.1598","","","","","","1.041","","","","has coordinates,has Fobs","218661","2020-10-21","18:00:00",""
"2243096","13.4775","0.0012","28.026","0.003","9.1085","0.0009","90","","90","","90","","3440.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-(pyridin-2-ylmethyl)\ benzamide","","- C18 H18 F2 N2 O3 -","- C18 H18 F2 N2 O3 -","- C144 H144 F16 N16 O24 -","8","2","SU5514","Artheswari, G.; Maheshwaran, V.; Gautham, N.","Crystal structure and Hirshfeld surface analysis of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-(pyridin-2-ylmethyl)benzamide","Acta Crystallographica Section E","2019","75","10","1515","1518","10.1107/S2056989019012866","","","0.71073","MoKα","","0.0832","0.0529","","","0.1444","0.1671","","","","","","1.021","","","","has coordinates,has Fobs","218662","2020-10-21","18:00:00",""
"2243097","6.215","0.001","7.547","0.001","18.716","0.004","84.34","0.02","87.14","0.02","84.69","0.02","869.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium benzoate monohydrate","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.1155","0.0542","","","0.1132","0.1339","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243098","6.256","0.001","7.489","0.001","19.097","0.002","84.19","0.01","86.98","0.02","84.62","0.02","885.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-fluorobenzoate monohydrate","","- C18 H23 F N2 O4 -","- C18 H23 F N2 O4 -","- C36 H46 F2 N4 O8 -","2","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.1957","0.0656","","","0.0974","0.1275","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243099","6.211","0.001","7.481","0.001","20.144","0.004","84.9","0.02","87.48","0.02","85.19","0.02","928.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-chlorobenzoate monohydrate","","- C18 H23 Cl N2 O4 -","- C18 H23 Cl N2 O4 -","- C36 H46 Cl2 N4 O8 -","2","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.1863","0.0649","","","0.1061","0.1354","","","","","","0.939","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243100","6.2004","0.0008","7.4957","0.0009","20.44","0.002","85.08","0.01","87.37","0.01","85","0.01","942.17","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-bromobenzoate monohydrate","","- C18 H23 Br N2 O4 -","- C18 H23 Br N2 O4 -","- C36 H46 Br2 N4 O8 -","2","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.1243","0.0676","","","0.1738","0.1971","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243101","6.5009","0.0008","7.9735","0.0009","32.155","0.004","90","","90","","90","","1666.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Methoxyphenyl)piperazin-1-ium 2-hydroxybenzoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0566","0.0411","","","0.0835","0.0892","","","","","","1.049","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243102","9.2817","0.0007","11.2905","0.0007","30.309","0.002","90","","90","","90","","3176.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)piperazin-1-ium pyridine-3-carboxylate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C136 H168 N24 O24 -","8","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.074","0.0484","","","0.1054","0.1185","","","","","","1.035","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243103","7.55","0.0009","7.6489","0.0009","32.719","0.006","90","","91.3","0.01","90","","1889","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)piperazin-1-ium 2-hydroxy-3,5-dinitrobenzoate","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C72 H80 N16 O32 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.155","0.066","","","0.1055","0.1284","","","","","","1.027","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243104","9.3225","0.0009","28.261","0.003","5.8228","0.0008","90","","90","","90","","1534.1","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(4-Methoxyphenyl)piperazin-1-ium hydrogensuccinate","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0544","0.0426","","","0.0966","0.1043","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243105","9.069","0.001","28.528","0.003","5.8375","0.0009","90","","90","","90","","1510.3","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(4-Methoxyphenyl)piperazin-1-ium hydrogenfumarate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0559","0.041","","","0.0936","0.101","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243106","9.063","0.001","6.4956","0.0009","26.093","0.003","90","","93.18","0.01","90","","1533.7","0.3","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)piperazin-1-ium hydrogenmaleate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0581","0.0397","","","0.1016","0.1108","","","","","","1.046","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243107","10.6117","0.0011","13.808","0.001","10.9137","0.0008","90","","90","","90","","1599.1","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(4-Methoxyphenyl)piperazin-1-ium trichloroacetate","","- C13 H17 Cl3 N2 O3 -","- C13 H17 Cl3 N2 O3 -","- C52 H68 Cl12 N8 O12 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0357","0.0321","","","0.0828","0.0861","","","","","","1.078","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243108","9.1597","0.0005","15.1434","0.0008","10.8742","0.0006","90","","102.067","0.005","90","","1475.02","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-(4-methoxyphenyl)piperazin-1-ium) chloranilate(2-) dihydrate","","- C14 H19 Cl N2 O4 -","- C14 H19 Cl N2 O4 -","- C56 H76 Cl4 N8 O16 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0549","0.0391","","","0.0968","0.1049","","","","","","1.024","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243109","7.4802","0.0004","7.4802","0.0004","7.9725","0.0011","90","","90","","90","","446.09","0.07","180","0.1","180","0.1","","","","","","","","6","P 4/m m m","-P 4 2","123","","Poly[[diaquatetra-μ~2~-cyanido-iron(II)platinum(II)] acetone disolvate]","","- C10 H16 Fe N4 O4 Pt -","- C10 H16 Fe N4 O4 Pt -","- C10 H16 Fe N4 O4 Pt -","1","0.0625","TX2013","Kuzevanova, Iryna S.; Naumova, Dina D.; Terebilenko, Kateryna V.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of poly[[diaquatetra-μ~2~-cyanido-iron(II)platinum(II)] acetone disolvate]","Acta Crystallographica Section E","2019","75","10","1536","1539","10.1107/S2056989019012945","","x-ray","0.71073","MoKα","","0.0255","0.0247","","","0.0451","0.0455","","","","","","1.035","","","","has coordinates,has disorder","218908","2020-10-21","18:00:00",""
"2243110","12.753","0.009","6.665","0.004","24.05","0.014","90","","102.95","0.03","90","","1992","2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4H-benzo[1,2-b]pyran 1,4-dioxane monosolvate","","- C20 H17 Cl2 N2 O4 -","- C20 H18 Cl2 N2 O4 -","- C80 H72 Cl8 N8 O16 -","4","1","YK2126","Silambarasan, S.; Nasser, A. Jamal Abdul; Mohandas, T.","Crystal structures of two 4H-chromene derivatives: 2-amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4H-benzo[1,2-b]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4H-benzo[1,2-b]pyran","Acta Crystallographica Section E","2019","75","10","1568","1572","10.1107/S2056989019013197","","","0.71073","MoKα","","0.0554","0.0435","","","0.1124","0.1213","","","","","","1.107","","","","has coordinates,has Fobs","218909","2020-10-21","18:00:00",""
"2243111","6.271","0.003","8.697","0.005","13.794","0.007","107.06","0.02","94.269","0.017","95","0.03","712.5","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4H-\ benzo[1,2-b]pyran","","- C16 H9 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C32 H20 Cl4 N4 O4 -","2","1","YK2126","Silambarasan, S.; Nasser, A. Jamal Abdul; Mohandas, T.","Crystal structures of two 4H-chromene derivatives: 2-amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4H-benzo[1,2-b]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4H-benzo[1,2-b]pyran","Acta Crystallographica Section E","2019","75","10","1568","1572","10.1107/S2056989019013197","","","0.71073","MoKα","","0.0381","0.0325","","","0.0744","0.0812","","","","","","1.109","","","","has coordinates,has Fobs","218909","2020-10-21","18:00:00",""
"2243112","12.6269","0.0002","18.0525","0.0003","24.9524","0.0006","90","","90","","90","","5687.83","0.19","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(15,20-Bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)\ bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane solvate","","- C64 H33 F10 N5 Ni S2 -","- C64 H33 F10 N5 Ni S2 -","- C256 H132 F40 N20 Ni4 S8 -","4","1","HB7846","Gutzeit, Florian; Neumann, Tjorge; Näther, Christian; Herges, Rainer","Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane x-solvate (x > 1/2)","Acta Crystallographica Section E","2019","75","10","1558","1563","10.1107/S2056989019012453","","","0.71073","MoKα","","0.0548","0.043","","","0.0943","0.0994","","","","","","1.04","","","","has coordinates,has Fobs","218910","2020-10-21","18:00:00",""
"2243113","13.667","0.0013","6.8704","0.0006","16.722","0.0016","90","","108.02","0.004","90","","1493.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1,3-Benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C64 H56 N8 O12 S4 -","4","1","RZ5264","Aydin, Abdullah; Celikesir, Sevim Turktekin; Akkurt, Mehmet; Saylam, Merve; Pabuccuoglu, Varol","Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide","Acta Crystallographica Section E","2019","75","10","1531","1535","10.1107/S2056989019012908","","","0.71073","MoKα","","0.1282","0.0921","","","0.1565","0.1693","","","","","","1.095","","","","has coordinates,has Fobs","218911","2020-10-21","18:00:00",""
"2243114","20.5876","0.0004","7.6889","0.0003","20.4312","0.0004","90","","104.534","0.0007","90","","3130.68","0.15","190","1","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C128 H80 Cl8 N24 O48 -","8","1","LH5922","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","10","1552","1557","10.1107/S2056989019012799","","","0.71075","MoKα","","0.0407","0.0368","","","0.0994","0.1036","","","","","","1.046","","","","has coordinates,has Fobs","218912","2020-10-21","18:00:00",""
"2243115","7.7282","0.001","10.2839","0.0014","11.2828","0.0016","71.99","0.004","79.724","0.004","69.051","0.003","794.08","0.19","190","1","190","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-2-nitrobenzoicacid‒6-nitroquinoline (1/1)","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C32 H20 Cl2 N6 O12 -","2","1","LH5922","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","10","1552","1557","10.1107/S2056989019012799","","","0.71075","MoKα","","0.046","0.0389","","","0.109","0.113","","","","","","1.069","","","","has coordinates,has Fobs","218912","2020-10-21","18:00:00",""
"2243116","7.3409","0.0005","7.4689","0.0004","27.0427","0.0014","90","","95.7158","0.0019","90","","1475.34","0.15","190","1","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Hydroxyquinoliniumb 3-chloro-2-nitrobenzoate","","- C16 H11 Cl N2 O5 -","- C16 H11 Cl N2 O5 -","- C64 H44 Cl4 N8 O20 -","4","1","LH5922","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","10","1552","1557","10.1107/S2056989019012799","","","0.71075","MoKα","","0.0355","0.0327","","","0.0899","0.092","","","","","","1.056","","","","has coordinates,has Fobs","218912","2020-10-21","18:00:00",""
"2243117","8.369","0.0003","13.244","0.0004","29.221","0.0005","90","","93.28","0.002","90","","3233.52","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(Naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,11'-indeno[1,2-b]quinoxaline]","","- C37 H26 N4 O3 S -","- C37 H26 N4 O3 S -","- C148 H104 N16 O12 S4 -","4","1","XI2018","Foize Ahmad, G.; Syed Mohammed Mujaheer, A.; NizamMohideen, M.; Gulam Mohamed, M.; Viswanathan, V.","The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,11'-indeno[1,2-b]quinoxaline] and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2H-spiro[acenaphthylene-1,12'-chromeno[3,4-a]indolizin]-2-one","Acta Crystallographica Section E","2019","75","10","1519","1524","10.1107/S205698901901291X","","","0.71073","MoKα","","0.1126","0.0566","","","0.1477","0.1636","","","","","","1.059","","","","has coordinates,has Fobs","218913","2020-10-21","18:00:00",""
"2243118","35.736","0.0005","11.451","0.0004","15.313","0.0003","90","","98.378","0.002","90","","6199.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6'-(nNphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2H-spiro[acenaphthylene-1,12'-chromeno[3,4-a]indolizin]-2-one","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C288 H224 N16 O32 -","8","1","XI2018","Foize Ahmad, G.; Syed Mohammed Mujaheer, A.; NizamMohideen, M.; Gulam Mohamed, M.; Viswanathan, V.","The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,11'-indeno[1,2-b]quinoxaline] and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2H-spiro[acenaphthylene-1,12'-chromeno[3,4-a]indolizin]-2-one","Acta Crystallographica Section E","2019","75","10","1519","1524","10.1107/S205698901901291X","","","0.71073","MoKα","","0.0595","0.0427","","","0.1194","0.1258","","","","","","1.072","","","","has coordinates,has Fobs","218913","2020-10-21","18:00:00",""
"2243119","8.6618","0.0003","16.261","0.0006","19.0572","0.0004","90","","90","","90","","2684.2","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(tetrahydrofuran-κO)bis(trifluoromethanesulfonato-κO)iron(II)","","- C18 H32 F6 Fe O10 S2 -","- C18 H32 F6 Fe O10 S2 -","- C72 H128 F24 Fe4 O40 S8 -","4","1","VN2153","Riemersma, Charl F.; Monkcom, Emily C.; Klein Gebbink, Robertus J. M.; Lutz, Martin","Crystal structure of tetrakis(tetrahydrofuran-κO)bis(trifluoromethanesulfonato-κO)iron(II)","Acta Crystallographica Section E","2019","75","10","1548","1551","10.1107/S2056989019013094","","","0.71073","MoKα","","0.0198","0.0191","","","0.0508","0.0512","","","","","","1.073","","","","has coordinates,has Fobs","218914","2020-10-21","18:00:00",""
"2243120","10.5986","0.0005","8.7168","0.0003","13.0308","0.0005","90","","111.513","0.002","90","","1119.99","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Amino-5-phenylthiazolidin-2-iminium bromide","","- C9 H12 Br N3 S -","- C9 H12 Br N3 S -","- C36 H48 Br4 N12 S4 -","4","1","HB7855","Duruskari, Gulnara Sh.; Khalilov, Ali N.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2019","75","10","1544","1547","10.1107/S2056989019013069","","","0.71073","MoKα","","0.0344","0.027","","","0.0667","0.0696","","","","","","1.016","","","","has coordinates,has Fobs","218915","2020-10-21","18:00:00",""
"2243121","8.1111","0.0017","44.054","0.009","12.259","0.002","90","","109.612","0.012","90","","4126.3","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexakis(pentafluorophenoxy)cyclotriphosphazene","","- C36 F30 N3 O6 P3 -","- C36 F30 N3 O6 P3 -","- C144 F120 N12 O24 P12 -","4","1","HB7853","Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.","Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes","Acta Crystallographica Section E","2019","75","10","1525","1530","10.1107/S2056989019012933","","","0.71073","MoKα","","0.1122","0.0653","","","0.1334","0.1528","","","","","","1.043","","","","has coordinates,has Fobs","218916","2020-10-21","18:00:00",""
"2243122","13.4906","0.0011","13.6573","0.0011","14.9377","0.0013","65.253","0.002","68.874","0.002","71.715","0.002","2288","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Hexakis[4-(trifluoromethyl)phenoxy]cyclotriphosphazene","","- C42 H24 F18 N3 O6 P3 -","- C42 H24 F18 N3 O6 P3 -","- C84 H48 F36 N6 O12 P6 -","2","1","","Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.","Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes","Acta Crystallographica Section E","2019","75","10","1525","1530","10.1107/S2056989019012933","","","0.71073","MoKα","","0.1002","0.0616","","","0.167","0.1949","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","218916","2020-10-21","18:00:00",""
"2243123","8.9782","0.0014","13.947","0.002","23.205","0.004","97.276","0.006","93.155","0.006","91.615","0.006","2876.1","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Hexakis[3,5-bis(trifluoromethyl)phenoxy]cyclotriphosphazene","","- C48 H18 F36 N3 O6 P3 -","- C48 H18 F36 N3 O6 P3 -","- C96 H36 F72 N6 O12 P6 -","2","1","","Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.","Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes","Acta Crystallographica Section E","2019","75","10","1525","1530","10.1107/S2056989019012933","","","0.71073","MoKα","","0.1531","0.0629","","","0.1248","0.1601","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","218916","2020-10-21","18:00:00",""
"2243124","9.3492","0.0002","16.3716","0.0003","10.803","0.0002","90","","90","","90","","1653.52","0.06","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","N-(tert-butyl)-2-(phenylethynyl)imidazo[1,2-a]pyridin-3-\ amine","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","SU5507","Tber, Zahira; Kansiz, Sevgi; El Hafi, Mohamed; Loubidi, Mohamed; Jouha, Jabrane; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure and Hirshfeld surface analysis of N-(tert-butyl)-2-(phenylethynyl)imidazo[1,2-a]pyridin-3-amine","Acta Crystallographica Section E","2019","75","10","1564","1567","10.1107/S2056989019012751","","","1.54178","CuKα","","0.0372","0.0345","","","0.0906","0.0935","","","","","","1.05","","","","has coordinates,has Fobs","218917","2020-10-21","18:00:00",""
"2243125","10.0905","0.0005","14.8664","0.0008","16.1261","0.0009","90","","97.347","0.005","90","","2399.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetra-n-butylammonium orotate monohydrate","Tetra-n-butylammonium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate monohydrate","","- C21 H41 N3 O5 -","- C21 H41 N3 O5 -","- C84 H164 N12 O20 -","4","1","HB7858","Ara, Irene; Basdouri, Zeineb; Falvello, Larry R.; Graia, Mohsen; Guerra, Pablo; Tomás, Milagros","Tetra-n-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement","Acta Crystallographica Section E","2019","75","11","1632","1637","10.1107/S2056989019013380","","","0.71073","MoKα","","0.0601","0.0458","","","0.1103","0.1178","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","219177","2020-10-21","18:00:00",""
"2243126","10.1335","0.0005","14.669","0.0007","16.9205","0.0008","90","","96.63","0.004","90","","2498.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 N3 O5 -","- C21 H41 N3 O5 -","- C84 H164 N12 O20 -","4","1","HB7858","Ara, Irene; Basdouri, Zeineb; Falvello, Larry R.; Graia, Mohsen; Guerra, Pablo; Tomás, Milagros","Tetra-n-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement","Acta Crystallographica Section E","2019","75","11","1632","1637","10.1107/S2056989019013380","","","0.71073","MoKα","","0.1235","0.047","","","0.0892","0.0954","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","219177","2020-10-21","18:00:00",""
"2243127","12.1452","0.0005","8.1784","0.0003","31.2738","0.0012","90","","90","","90","","3106.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[3-(4-Hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol monohydrate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","SJ5579","Duong Khanh, Linh; Hanh Trinh Thi, My; Quynh Bui Thi, Thuy; Vu Quoc, Trung; Nguyen Thien, Vuong; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol monohydrate","Acta Crystallographica Section E","2019","75","11","1590","1594","10.1107/S2056989019013379","","x-ray","0.71073","MoKα","","0.075","0.0502","","","0.1023","0.1154","","","","","","1.029","","","","has coordinates,has Fobs","219179","2020-10-21","18:00:00",""
"2243128","7.6558","0.0003","11.8961","0.0005","13.5853","0.0004","82.95","0.003","76.072","0.003","76.339","0.004","1164.07","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)]","","- C14 H22 Cl6 Hg2 N4 -","- C14 H22 Cl6 Hg2 N4 -","- C28 H44 Cl12 Hg4 N8 -","2","1","VM2222","Garci, Fatma; Ferjani, Hela; Chebbi, Hammouda; Ben Jomaa, Mariem; Zid, Mohamed Faouzi","Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)]","Acta Crystallographica Section E","2019","75","11","1600","1606","10.1107/S2056989019013124","","","0.71073","MoKα","","0.0934","0.0549","","","0.1338","0.1525","","","","","","1.03","","","","has coordinates,has Fobs","219180","2020-10-21","18:00:00",""
"2243129","10.201","0.0001","20.026","0.0003","25.2349","0.0004","70.535","0.001","86.852","0.001","82.147","0.001","4814.65","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","Benzyl N'-[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]hydrazine-1-carbodithioate","","- C27 H26 N2 O2 S2 -","- C27 H26 N2 O2 S2 -","- C216 H208 N16 O16 S16 -","8","4","WM5520","Arif Tawfeeq, Nabeel; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ravoof, Thahira B. S. A.","Crystal structure of benzyl N'-[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]hydrazine-1-carbodithioate","Acta Crystallographica Section E","2019","75","11","1613","1619","10.1107/S2056989019013458","","","1.54178","CuKα","","0.0585","0.0475","","","0.1229","0.1304","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","219181","2020-10-21","18:00:00",""
"2243130","14.1711","0.0004","6.0546","0.0002","27.7102","0.0008","90","","90","","90","","2377.54","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridine","","- C13 H8 Br2 N2 -","- C13 H8 Br2 N2 -","- C104 H64 Br16 N16 -","8","1","WM5525","Khamees, Hussien Ahmed; Chaluvaiah, Kumara; El-khatatneh, Nasseem Ahmed; Swamynayaka, Ananda; Chong, Kwong Huey; Dasappa, Jagadeesh Prasad; Madegowda, Mahendra","Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridine","Acta Crystallographica Section E","2019","75","11","1620","1626","10.1107/S2056989019013410","","","0.71073","MoKα","","0.1269","0.0473","","","0.0939","0.1183","","","","","","0.996","","","","has coordinates,has Fobs","219182","2020-10-21","18:00:00",""
"2243131","5.805","0.0003","8.3566","0.0006","8.7433","0.0006","90","","95.148","0.004","90","","422.43","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ethane-1,2-disulfonate monohydrate","Bis(oxonium) ethane-1,2-disulfonate","","- C2 H10 O8 S2 -","- C2 H10 O8 S2 -","- C4 H20 O16 S4 -","2","0.5","LH5920","Mazurek, Jaroslaw; Fernandez-Casares, Ana","The crystal structures of two novel polymorphs of bis(oxonium) ethane-1,2-disulfonate","Acta Crystallographica Section E","2019","75","11","1586","1589","10.1107/S2056989019013367","","","0.71073","MoKα","","0.0415","0.0406","","","0.12","0.1213","","","","","","1.04","","","","has coordinates,has Fobs","219183","2020-10-21","18:00:00",""
"2243132","5.0371","0.0003","5.5424","0.0002","8.8188","0.0004","98.426","0.005","104.511","0.003","91.663","0.004","235.22","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis(oxonium) ethane-1,2-disulfonate","","- C2 H10 O8 S2 -","- C2 H10 O8 S2 -","- C2 H10 O8 S2 -","1","0.5","","Mazurek, Jaroslaw; Fernandez-Casares, Ana","The crystal structures of two novel polymorphs of bis(oxonium) ethane-1,2-disulfonate","Acta Crystallographica Section E","2019","75","11","1586","1589","10.1107/S2056989019013367","","","0.71073","MoKα","","0.0888","0.058","","","0.1468","0.1632","","","","","","1.036","","","","has coordinates,has Fobs","219183","2020-10-21","18:00:00",""
"2243133","6.6055","0.0013","6.883","0.0016","8.5178","0.0019","94.804","0.008","101.306","0.007","108.596","0.007","355.44","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-hydroxido)(μ~2~-1H-pyrazole-3,5-dicarboxylato)gallium(III)] monohydrate]","","- C5 H5 Ga N2 O6 -","- C5 H5 Ga N2 O6 -","- C10 H10 Ga2 N4 O12 -","2","1","SJ5578","Simões, Andrea B.; Figueira, Flávio; Mendes, Ricardo F.; Barbosa, Jéssica S.; Rocha, João; Paz, Filipe A. Almeida","One-dimensional ladder gallium coordination polymer","Acta Crystallographica Section E","2019","75","11","1607","1612","10.1107/S2056989019013446","","","0.71073","MoKα","","0.0367","0.0312","","","0.0719","0.0737","","","","","","1.108","","","","has coordinates,has Fobs","219184","2020-10-21","18:00:00",""
"2243134","9.2298","0.0009","9.0302","0.0009","16.7375","0.0017","90","","97.863","0.001","90","","1381.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[4-(Dimethylamino)benzylidene]-1H-indene-1,3(2H)-dione","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana","Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1H-indene-1,3(2H)-dione and (E)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1H-indene-1,3(2H)-dione","Acta Crystallographica Section E","2019","75","11","1595","1599","10.1107/S205698901901329X","","","0.71073","MoKα","","0.0531","0.0473","","","0.1322","0.1388","","","","","","1.07","","","","has coordinates,has Fobs","219185","2020-10-21","18:00:00",""
"2243135","11.072","0.002","3.9664","0.0008","17.557","0.004","90","","104.5","0.002","90","","746.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-{3-[4-(Dimethylamino)phenyl]allylidene}-1H-indene-1,3(2H)-dione","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","1","","Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana","Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1H-indene-1,3(2H)-dione and (E)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1H-indene-1,3(2H)-dione","Acta Crystallographica Section E","2019","75","11","1595","1599","10.1107/S205698901901329X","","","0.71073","MoKα","","0.0453","0.0438","","","0.1201","0.1214","","","","","","1.115","","","","has coordinates,has Fobs","219185","2020-10-21","18:00:00",""
"2243136","9.604","0.003","22.785","0.006","11.374","0.003","90","","106.304","0.012","90","","2388.8","1.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2-methoxyethyl xanthato-κS)(N,N,N',N'-\ tetramethylethylenediamine-κ^2^N,N')zinc(II) acetone hemisolvate","","- C15.5 H33 N2 O4.5 S4 Zn -","- C14 H30 N2 O4 S4 Zn -","- C56 H120 N8 O16 S16 Zn4 -","4","1","LH5921","Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Rosair, Georgina M.; Fritsky, Igor O.","Crystal structure and DFT study of a zinc xanthate complex","Acta Crystallographica Section E","2019","75","11","1582","1585","10.1107/S2056989019013148","","","0.71073","MoKα","","0.0617","0.0395","","","0.0984","0.1049","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","219186","2020-10-21","18:00:00",""
"2243137","5.1593","0.0006","8.6124","0.0009","13.5745","0.0019","90","","97.087","0.004","90","","598.56","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-Aminopyridinium hydrogen phthalate","2-Aminopyridinium hydrogen phthalate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C26 H24 N4 O8 -","2","1","","Siva, V.; Suresh, M.; Athimoolam, S.; Asath Bahadur, S.","Crystal structure and Hirshfeld surface analysis of 2-aminopyridinium hydrogen phthalate","Acta Crystallographica Section E","2019","75","11","1627","1631","10.1107/S2056989019012957","","","0.71073","MoKα","","0.0624","0.0588","","","0.1764","0.1856","","","","","","1.24","","","","has coordinates,has Fobs","219187","2020-10-21","18:00:00",""
"2243138","18.99","0.004","9.364","0.0019","13.636","0.003","90","","90","","90","","2424.8","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[[(perchlorato-κκO)copper(II)]-μ-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane-κ^4^N^1^,N^2^,N^4^,N^5^] bis(perchlorate)]","","- C13 H30 Cl3 Cu N5 O14 -","- C13 H30 Cl3 Cu N5 O14 -","- C52 H120 Cl12 Cu4 N20 O56 -","4","1","HB7857","Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","The first structural characterization of the protonated azacyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane] bis(perchlorate)]","Acta Crystallographica Section E","2019","75","11","1700","1704","10.1107/S205698901901377X","","","0.71073","MoKα","","0.1239","0.0695","","","0.1731","0.2151","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","219485","2020-10-21","18:00:00",""
"2243139","9.6979","0.0001","23.6702","0.0003","9.9229","0.0002","90","","92.9125","0.0005","90","","2274.87","0.06","173","2","173","2","","","","","","","","4","I 1 a 1","I -2ya","9","","2-[(2',6'-Dimethoxy-2,3'-bipyridin-6-yl)oxy]-9-(pyridin-2-yl)-9H-carbazole","","- C29 H22 N4 O3 -","- C29 H22 N4 O3 -","- C116 H88 N16 O12 -","4","1","","Moon, Suk-Hee; Park, Ki-Min; Kim, Jinho; Kang, Youngjin","Crystal structure and luminescence properties of 2-[(2',6'-dimethoxy-2,3'-bipyridin-6-yl)oxy]-9-(pyridin-2-yl)-9H-carbazole","Acta Crystallographica Section E","2019","75","11","1646","1649","10.1107/S2056989019013549","","","0.71073","MoKα","","0.0354","0.0336","","","0.0823","0.0835","","","","","","1.063","","","","has coordinates,has Fobs","219486","2020-10-21","18:00:00",""
"2243140","9.9813","0.0011","10.6074","0.0013","12.1686","0.0015","104.606","0.003","90.709","0.003","103.146","0.003","1210.7","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","Bis(anilinium) octa-μ~3~-chlorido-hexachlorido-octahedro-hexamolybdate N,N-dimethylformamide tetrasolvate","","- C24 H44 Cl14 Mo6 N6 O4 -","- C24 H44 Cl14 Mo6 N6 O4 -","- C24 H44 Cl14 Mo6 N6 O4 -","1","0.5","EB2023","Johnston, Dean H.; Agho, Ikponmwosa","Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters","Acta Crystallographica Section E","2019","75","11","1705","1711","10.1107/S205698901901380X","","x-ray","0.71073","MoKα","","0.0219","0.0186","","","0.044","0.0457","","","","","","1.069","","","","has coordinates,has Fobs","219487","2020-10-21","18:00:00",""
"2243141","10.1752","0.0016","10.3227","0.0016","13.736","0.002","95.204","0.004","111.483","0.004","101.973","0.004","1291.1","0.3","200","2","200","","","","","","","","","6","P -1","-P 1","2","","p-Phenylenediammonium octa-μ~3~-chlorido-hexachlorido-octahedro-hexamolybdate N,N-dimethylformamide hexasolvate","","- C24 H52 Cl14 Mo6 N8 O6 -","- C24 H52 Cl14 Mo6 N8 O6 -","- C24 H52 Cl14 Mo6 N8 O6 -","1","0.5","EB2023","Johnston, Dean H.; Agho, Ikponmwosa","Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters","Acta Crystallographica Section E","2019","75","11","1705","1711","10.1107/S205698901901380X","","x-ray","0.71073","MoKα","","0.037","0.0259","","","0.0576","0.0621","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","219487","2020-10-21","18:00:00",""
"2243142","9.451","0.002","11.236","0.003","11.712","0.003","64.933","0.006","71.174","0.006","75.44","0.006","1056.7","0.5","200","","200","","","","","","","","","6","P -1","-P 1","2","","N,N'-(1,4-Phenylene)bis(propan-2-iminium) octa-μ~3~-chlorido-hexachlorido-octahedro-hexamolybdate acetone trisolvate","","- C21 H36 Cl14 Mo6 N2 O3 -","- C21 H36 Cl14 Mo6 N2 O3 -","- C21 H36 Cl14 Mo6 N2 O3 -","1","0.5","EB2023","Johnston, Dean H.; Agho, Ikponmwosa","Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters","Acta Crystallographica Section E","2019","75","11","1705","1711","10.1107/S205698901901380X","","x-ray","0.71073","MoKα","","0.0303","0.0252","","","0.0649","0.0681","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","219487","2020-10-21","18:00:00",""
"2243143","9.8252","0.0011","10.0933","0.0011","12.6319","0.0015","107.395","0.003","91.881","0.003","93.309","0.003","1191.8","0.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","1,1'-Dimethyl-4,4'-bipyridinium octa-μ~3~-chlorido-hexachlorido-octahedro-hexamolybdate N,N-dimethylformamide tetrasolvate","","- C24 H42 Cl14 Mo6 N6 O4 -","- C24 H42 Cl14 Mo6 N6 O4 -","- C24 H42 Cl14 Mo6 N6 O4 -","1","0.5","EB2023","Johnston, Dean H.; Agho, Ikponmwosa","Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters","Acta Crystallographica Section E","2019","75","11","1705","1711","10.1107/S205698901901380X","","x-ray","0.71073","MoKα","","0.0239","0.0201","","","0.0472","0.0489","","","","","","1.023","","","","has coordinates,has Fobs","219487","2020-10-21","18:00:00",""
"2243144","14.86462","0.00008","19.3714","0.0001","19.85451","0.00009","102.771","0.0004","100.827","0.0004","99.5778","0.0004","5345.84","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)silver(I)] tris(thiocyanato)argentate(I) diethyl ether disolvate","","- C127 H116 Ag3 N11 O2 S3 -","- C123 H106 Ag3 N11 O S3 -","- C246 H212 Ag6 N22 O2 S6 -","2","1","WM5519","Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge","Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate","Acta Crystallographica Section E","2019","75","11","1657","1663","10.1107/S2056989019013719","","","1.54184","CuKα","","0.0368","0.0298","","","0.0759","0.0803","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","219488","2020-10-21","18:00:00",""
"2243145","13.6265","0.0001","14.7422","0.0001","16.9397","0.0002","106.417","0.0007","112.282","0.0008","96.2211","0.0006","2930.05","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κ^2^Se:Se)bis[bromido(1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κSe)silver(I)] dichloromethane hexasolvate","","- C122 H108 Ag2 Br2 Cl12 N8 Se4 -","- C120 H104 Ag2 Br2 Cl8 N8 Se4 -","- C120 H104 Ag2 Br2 Cl8 N8 Se4 -","1","0.5","WM5519","Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge","Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate","Acta Crystallographica Section E","2019","75","11","1657","1663","10.1107/S2056989019013719","","","0.71073","MoKα","","0.0406","0.0348","","","0.0915","0.0959","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","219488","2020-10-21","18:00:00",""
"2243146","13.7704","0.0003","14.3398","0.0003","28.4102","0.0007","90","","93.024","0.002","90","","5602.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[(1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κSe)copper(I)]-μ-cyanido-κ^2^C:N] acetonitrile monosolvate]","","- C32 H27 Cu N4 Se -","- C32 H27 Cu N4 Se -","- C256 H216 Cu8 N32 Se8 -","8","2","WM5519","Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge","Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate","Acta Crystallographica Section E","2019","75","11","1657","1663","10.1107/S2056989019013719","","","0.71073","MoKα","","0.0546","0.048","","","0.1156","0.1193","","","","","","1.062","","","","has coordinates,has Fobs","219488","2020-10-21","18:00:00",""
"2243147","12.8265","0.0013","4.7699","0.0005","13.5033","0.0016","90","","109.713","0.003","90","","777.73","0.15","190","1","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-4-nitrobenzoic acid‒5-nitroquinoline","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C32 H20 Cl2 N6 O12 -","2","1","LH5931","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitrobenzoic acid‒5-nitroquinoline (1/1) and 5-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","Acta Crystallographica Section E","2019","75","11","1694","1699","10.1107/S2056989019013896","","","0.71075","MoKα","","0.0759","0.0556","","","0.1487","0.1688","","","","","","1.05","","","","has coordinates,has Fobs","219489","2020-10-21","18:00:00",""
"2243148","7.6682","0.0006","8.6515","0.0008","12.8609","0.001","79.17","0.003","78.968","0.002","70.394","0.003","781.8","0.11","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C32 H20 Cl2 N6 O12 -","2","1","LH5931","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitrobenzoic acid‒5-nitroquinoline (1/1) and 5-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","Acta Crystallographica Section E","2019","75","11","1694","1699","10.1107/S2056989019013896","","","0.71075","MoKα","","0.0758","0.0517","","","0.132","0.1479","","","","","","1.086","","","","has coordinates,has Fobs","219489","2020-10-21","18:00:00",""
"2243149","6.0464","0.0001","11.7175","0.0003","13.2931","0.0003","95.735","0.001","95.813","0.001","101.78","0.001","910.16","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C44 H32 N8 O4 -","2","1","LH5927","Filali, Mouad; El Ghayati, Lhoussaine; Hökelek, Tuncer; Mague, Joel T.; Ben-Tama, Abdessalam; El Hadrami, El Mestafa; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate","Acta Crystallographica Section E","2019","75","11","1672","1678","10.1107/S2056989019013732","","","1.54178","CuKα","","0.0387","0.0358","","","0.0952","0.0982","","","","","","1.023","","","","has coordinates,has Fobs","219490","2020-10-21","18:00:00",""
"2243150","4.9468","0.0003","5.8712","0.0006","21.353","0.0018","85.019","0.008","84.094","0.006","86.465","0.007","613.68","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(2E,2'E)-1,1'-[Selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]","","- C30 H20 Cl2 O2 Se -","- C30 H20 Cl2 O2 Se -","- C30 H20 Cl2 O2 Se -","1","1","","Bouraoui, Hazem; Mechehoud, Youcef; Chetioui, Souheyla; Touzani, Rachid; Medjani, Meriem; Benmilat, Ahmed; Boudjada, Ali","Crystal structure and Hirshfeld surface analysis of (2E,2'E)-1,1'-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]","Acta Crystallographica Section E","2019","75","11","1724","1728","10.1107/S2056989019014038","","","0.71073","MoKα","","0.0706","0.0384","","","0.0585","0.0744","","","","","","0.807","","","","has coordinates","219491","2020-10-21","18:00:00",""
"2243151","9.0373","0.0007","16.6798","0.0013","12.511","0.001","90","","95.982","0.002","90","","1875.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2Z)-4-Benzyl-2-(2,4-dichlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one","","- C22 H15 Cl2 N O S -","- C22 H15 Cl2 N O S -","- C88 H60 Cl8 N4 O4 S4 -","4","1","LH5925","Sebbar, Nada Kheira; Hni, Brahim; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; El Ghayati, Lhoussaine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (2Z)-4-benzyl-2-(2,4-dichlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one","Acta Crystallographica Section E","2019","75","11","1650","1656","10.1107/S2056989019013586","","","1.54178","CuKα","","0.0276","0.0263","","","0.0693","0.0703","","","","","","1.048","","","","has coordinates,has Fobs","219492","2020-10-21","18:00:00",""
"2243152","7.4897","0.0001","26.3607","0.0005","7.0623","0.0001","90","","96.356","0.001","90","","1385.77","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinamide benzoic acid","2-Chloro-5-nitrobenzoic acid‒nicotinamide (1/1)","","- C13 H10 Cl N3 O5 -","- C13 H10 Cl N3 O5 -","- C52 H40 Cl4 N12 O20 -","4","1","EB2025","Bairagi, Keshab M.; Pal, Priyanka; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Chopra, Deepak; Nayak, Susanta K.","Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid","Acta Crystallographica Section E","2019","75","11","1712","1718","10.1107/S2056989019013859","","","0.71073","MoKα","","0.05","0.0375","","","0.0876","0.0936","","","","","","1.077","","","","has coordinates,has Fobs","219493","2020-10-21","18:00:00",""
"2243153","6.6658","0.0003","30.16","0.0016","7.2193","0.0004","90","","106.088","0.002","90","","1394.53","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(2-chlorophenyl)-7-hydroxy-4H-benzo[1,2-b]pyran-3-carbonitrile","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","SJ5577","Beemarao, M.; Silambarasan, S.; Nasser, A. Jamal Abdul; Purushothaman, M.; Ravichandran, K.","Crystal structure, DFT and Hirshfeld surface analysis of 2-amino-4-(2-chlorophenyl)-7-hydroxy-4H-benzo[1,2-b]pyran-3-carbonitrile","Acta Crystallographica Section E","2019","75","11","1638","1642","10.1107/S2056989019013537","","","0.71073","MoKα","","0.0638","0.0374","","","0.0863","0.1026","","","","","","1.054","","","","has coordinates,has Fobs","219494","2020-10-21","18:00:00",""
"2243154","10.819","0.003","11.501","0.003","11.187","0.004","90","","90.93","0.03","90","","1391.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","WM5515","Dadou, Said; Kansiz, Sevgi; Daoui, Said; El Kalai, Fouad; Baydere, Cemile; Saddik, Rafik; Karrouchi, Khalid; Dege, Necmi; Benchat, Noureddine","Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate","Acta Crystallographica Section E","2019","75","11","1679","1684","10.1107/S2056989019013707","","","0.71073","MoKα","","0.1691","0.0563","","","0.0811","0.1043","","","","","","0.877","","","","has coordinates,has Fobs","219495","2020-10-21","18:00:00",""
"2243155","11.273","0.0013","12.3808","0.0009","14.1405","0.0015","90","","92.801","0.009","90","","1971.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydro-pyridazin-1-yl]acetate","","- C20 H16 Cl2 N2 O3 -","- C20 H16 Cl2 N2 O3 -","- C80 H64 Cl8 N8 O12 -","4","1","WM5515","Dadou, Said; Kansiz, Sevgi; Daoui, Said; El Kalai, Fouad; Baydere, Cemile; Saddik, Rafik; Karrouchi, Khalid; Dege, Necmi; Benchat, Noureddine","Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate","Acta Crystallographica Section E","2019","75","11","1679","1684","10.1107/S2056989019013707","","","0.71073","MoKα","","0.2036","0.0675","","","0.1804","0.2307","","","","","","0.83","","","","has coordinates,has disorder,has Fobs","219495","2020-10-21","18:00:00",""
"2243156","12.5451","0.0013","15.9804","0.0017","19.434","0.002","86.671","0.002","72.369","0.002","74.167","0.002","3570.9","0.6","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","2-(4-Nitrophenyl)-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one isopropanol 0.25-solvate 0.0625-hydrate","","- C79 H60.5 N12 O13.25 S4 -","- C79 H60.5 N12 O13.25 S4 -","- C158 H121 N24 O26.5 S8 -","2","1","HB7856","Yennawar, Hemant P.; Thompson, Eric N.; Li, Jennie; Silverberg, Lee J.","Crystal structures of two solvated 2-aryl-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-ones","Acta Crystallographica Section E","2019","75","11","1689","1693","10.1107/S2056989019013781","","","0.71073","MoKα","","0.1313","0.0573","","","0.1297","0.1576","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","219496","2020-10-21","18:00:00",""
"2243157","14.4481","0.0016","9.0141","0.001","16.3427","0.0019","90","","115.481","0.002","90","","1921.4","0.4","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one toluene hemisolvate","","- C22.5 H17 F N2 O S -","- C22.5 H17 F N2 O S -","- C90 H68 F4 N8 O4 S4 -","4","1","HB7856","Yennawar, Hemant P.; Thompson, Eric N.; Li, Jennie; Silverberg, Lee J.","Crystal structures of two solvated 2-aryl-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-ones","Acta Crystallographica Section E","2019","75","11","1689","1693","10.1107/S2056989019013781","","","0.71073","MoKα","","0.0719","0.0471","","","0.1345","0.151","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","219496","2020-10-21","18:00:00",""
"2243158","7.2716","0.0005","10.4868","0.0006","10.8677","0.0006","65.54","0.004","88.893","0.005","88.378","0.005","754.02","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(acetonitrile-κN)bis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)nickel(II)","","- C30 H24 N6 Ni O2 S2 -","- C30 H24 N6 Ni O2 S2 -","- C30 H24 N6 Ni O2 S2 -","1","0.5","LH5928","Wellm, Carsten; Näther, Christian","Crystal structure, synthesis and thermal properties of bis(acetonitrile-κN)bis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)nickel(II)","Acta Crystallographica Section E","2019","75","11","1685","1688","10.1107/S2056989019013756","","","0.71073","MoKα","","0.0629","0.046","","","0.0925","0.0996","","","","","","1.062","","","","has coordinates,has Fobs","219497","2020-10-21","18:00:00",""
"2243159","9.3167","0.001","10.0363","0.001","11.8052","0.0013","92.633","0.009","97.31","0.009","98.67","0.009","1080","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2,2'-{(1E,1'E)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate","","- C21 H15 Cu F6 N2 O5 -","- C21 H15 Cu F6 N2 O5 -","- C42 H30 Cu2 F12 N4 O10 -","2","1","LH5932","Kansiz, Sevgi; Meral, Seher; Dege, Necmi; Agar, Aysen Alaman; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of 2,2'-{(1E,1'E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate","Acta Crystallographica Section E","2019","75","11","1729","1733","10.1107/S2056989019014294","","","0.71073","MoKα","","0.0944","0.0669","","","0.1896","0.2174","","","","","","1.08","","","","has coordinates,has Fobs","221281","2020-10-21","18:00:00",""
"2243160","6.9346","0.0001","8.438","0.0002","16.6963","0.0005","79.826","0.002","89.848","0.002","80.488","0.002","948.03","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","3-[(4-Nitrobenzylidene)amino]-2(R,S)-(4-nitrophenyl)-5(S)-(propan-2-yl)imidazolidin-4-one","","- C19 H19 N5 O5 -","- C19 H19 N5 O5 -","- C38 H38 N10 O10 -","2","2","LH5929","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Souza, Marcus V. N.; da Costa, Cristiane F.","Crystal structure, Hirshfeld surface analysis and PIXEL calculations of a 1:1 epimeric mixture of 3-[(4-nitrobenzylidene)amino]-2(R,S)-(4-nitrophenyl)-5(S)-(propan-2-yl)imidazolidin-4-one","Acta Crystallographica Section E","2019","75","11","1774","1782","10.1107/S2056989019013938","","x-ray","1.54178","CuKα","","0.0327","0.0314","","","0.0877","0.0885","","","","","","1.06","","","","has coordinates,has Fobs","221283","2020-10-21","18:00:00",""
"2243161","13.0656","0.0005","12.1787","0.0004","8.3471","0.0003","90","","96.154","0.001","90","","1320.55","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-Bis[2-(methylsulfanyl)phenyl]diazene","","- C14 H14 N2 S2 -","- C14 H14 N2 S2 -","- C56 H56 N8 S8 -","4","1","WM5522","Hoffmann, Jonas; Kuczmera, Thomas J.; Lork, Enno; Staubitz, Anne","Synthesis and crystal structure of (E)-1,2-bis[2-(methylsulfanyl)phenyl]diazene","Acta Crystallographica Section E","2019","75","11","1808","1811","10.1107/S2056989019014592","","x-ray","0.71073","MoKα","","0.0412","0.0337","","","0.0842","0.0889","","","","","","1.035","","","","has coordinates,has Fobs","221285","2020-10-21","18:00:00",""
"2243162","16.9368","0.0005","15.413","0.0004","18.4562","0.0006","90","","109.254","0.004","90","","4548.4","0.3","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-\ dihydroquinolin-1-yl}acetate","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","LH5924","Filali Baba, Yassir; Hayani, Sonia; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry; Sebbar, Nada Kheira; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetate","Acta Crystallographica Section E","2019","75","11","1753","1758","10.1107/S2056989019014154","","","1.54184","CuKα","","0.0634","0.0453","","","0.1303","0.1435","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","221287","2020-10-21","18:00:00",""
"2243163","13.2138","0.0002","14.1981","0.0002","17.537","0.0002","82.696","0.001","80.002","0.001","80.784","0.001","3181.6","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","μ-Aqua-κ^2^O:O-di-μ-diphenylacetato-κ^4^O:O'-bis[(diphenylacetato-κO)bis(pyridine-κN)nickel(II)]","","- C76 H66 N4 Ni2 O9 -","- C76 H66 N4 Ni2 O9 -","- C152 H132 N8 Ni4 O18 -","2","1","SU5519","Nikiforov, A. A.; Blinou, D. O.; Dubrov, E. N.; Panina, N. S.; Ponyaev, A. I.; Gurzhiy, V. V.; Eremin, A. V.; Fischer, A. I.","Crystal structures of two dimeric nickel diphenylacetate complexes","Acta Crystallographica Section E","2019","75","11","1768","1773","10.1107/S2056989019014063","","x-ray","1.54184","CuKα","","0.036","0.0337","","","0.0859","0.0875","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","221289","2020-10-21","18:00:00",""
"2243164","15.6064","0.0003","17.744","0.0004","17.9143","0.0004","70.462","0.002","69.631","0.002","64.726","0.002","4103.17","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","μ-Aqua-κ^2^O:O-di-μ-diphenylacetato-κ^4^O:O'-\ bis[(2,2'-bipyridine-κ^2^N,N')(diphenylacetato-κO)\ nickel(II)]‒acetonitrile‒diphenylacetic acid (1/2.5/1)","","- C95 H81.5 N6.5 Ni2 O11 -","- C95 H81.5 N6.5 Ni2 O11 -","- C190 H163 N13 Ni4 O22 -","2","1","SU5519","Nikiforov, A. A.; Blinou, D. O.; Dubrov, E. N.; Panina, N. S.; Ponyaev, A. I.; Gurzhiy, V. V.; Eremin, A. V.; Fischer, A. I.","Crystal structures of two dimeric nickel diphenylacetate complexes","Acta Crystallographica Section E","2019","75","11","1768","1773","10.1107/S2056989019014063","","x-ray","1.54184","CuKα","","0.043","0.0384","","","0.1007","0.1033","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","221289","2020-10-21","18:00:00",""
"2243165","26.84","0.005","4.83","0.001","18.62","0.004","90","","119.91","0.03","90","","2092.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[(2-ethoxypyrazine-κN)copper(I)]-di-μ~2~-cyanido] [copper(I)-μ~2~-cyanido]]","","- C8 H8 Cu2 N4 O -","- C8 H8 Cu2 N4 O -","- C64 H64 Cu16 N32 O8 -","8","1","RZ5265","Partsevska, Sofiia V.; Sirenko, Valerii Y.; Terebilenko, Kateryna V.; Malinkin, Sergey O.; Gural'skiy, Il'ya A.","Crystal structure of catena-poly[[[(2-ethoxypyrazine-κN)copper(I)]-di-μ~2~-cyanido] [copper(I)-μ~2~-cyanido]]","Acta Crystallographica Section E","2019","75","11","1797","1800","10.1107/S205698901901452X","","","0.71073","MoKα","","0.0988","0.0445","","","0.0805","0.0911","","","","","","0.843","","","","has coordinates,has disorder,has Fobs","221291","2020-10-21","18:00:00",""
"2243166","7.9134","0.0005","8.3006","0.0005","12.6413","0.0008","97.873","0.004","91.62","0.004","91.991","0.005","821.57","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(N,N-diethylformamide)(μ~4~-naphthalene-2,6-dicarboxylato)(μ~2~-naphthalene-2,6-dicarboxylato)dizinc(II)]","","- C17 H17 N O5 Zn -","- C17 H17 N O5 Zn -","- C34 H34 N2 O10 Zn2 -","2","1","ZL2761","Saffon-Merceron, Nathalie; Vigroux, Alain; Hoffmann, Pascal","Crystal structure of a two-dimensional coordination polymer of formula [Zn(NDC)(DEF)] (H~2~NDC is naphthalene-2,6-dicarboxylic acid and DEF is N,N-diethylformamide)","Acta Crystallographica Section E","2019","75","11","1759","1762","10.1107/S2056989019014142","","","0.71073","MoKα","","0.0727","0.0419","","","0.0715","0.081","","","","","","1.001","","","","has coordinates,has disorder","221293","2020-10-21","18:00:00",""
"2243167","4.9411","0.0008","16.139","0.002","16.426","0.003","90","","100.44","0.007","90","","1288.2","0.4","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","(E)-2-({2-[Azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}\ methyl)benzene-1,4-diol sulfate","","- C9 H13 N3 O6 S2 -","- C9 H13 N3 O6 S2 -","- C36 H52 N12 O24 S8 -","4","1","LH5926","Nehar, Oussama; Louhibi, Samira; Roisnel, Thierry","Synthesis and crystal structure of (E)-2-({2-[azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}methyl)benzene-1,4-diol hydrogen sulfate","Acta Crystallographica Section E","2019","75","11","1738","1740","10.1107/S2056989019014233","","x-ray","0.71073","MoKα","","0.0763","0.0497","","","0.1277","0.1467","","","","","","1.034","","","","has coordinates,has disorder","221295","2020-10-21","18:00:00",""
"2243168","10.9171","0.0003","9.1262","0.0002","15.2539","0.0003","90","","108.618","0.003","90","","1440.24","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(4-Methoxybenzylidene)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","0.71073","MoKα","","0.0445","0.0373","","","0.0886","0.093","","","","","","1.027","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243169","12.6208","0.0002","14.9969","0.00017","8.39151","0.00012","90","","108.681","0.0017","90","","1504.61","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(4-Ethoxybenzylidene)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","1.54184","CuKα","","0.0368","0.0339","","","0.0895","0.0921","","","","","","1.044","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243170","9.287","0.0002","9.8727","0.0002","12.2944","0.0003","67.098","0.003","81.472","0.002","61.989","0.003","915.92","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(4-Benzylbenzylidene)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one","","- C25 H22 O2 -","- C25 H22 O2 -","- C50 H44 O4 -","2","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","1.54184","CuKα","","0.0339","0.0317","","","0.0782","0.0797","","","","","","1.068","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243171","10.6273","0.0005","11.6191","0.0004","12.1114","0.0005","90","","108.777","0.004","90","","1415.92","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorobenzylidene)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C72 H60 Cl4 O4 -","4","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","1.54184","CuKα","","0.0599","0.0549","","","0.1609","0.1652","","","","","","1.113","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243172","12.4725","0.0004","7.1718","0.0002","15.9983","0.0005","90","","106.12","0.003","90","","1374.79","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-Cyanobenzylidene)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","1.54184","CuKα","","0.0707","0.0679","","","0.1774","0.181","","","","","","1.055","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243173","6.1907","0.0001","7.201","0.0002","12.4919","0.0003","90.31","0.001","94.587","0.001","111.087","0.001","517.57","0.02","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(4-carboxybenzenesulfonato)copper(II) dihydrate","","- C14 H22 Cu O16 S2 -","- C14 H22 Cu O16 S2 -","- C14 H22 Cu O16 S2 -","1","0.5","MW2148","Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin","Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts","Acta Crystallographica Section E","2019","75","11","1801","1807","10.1107/S2056989019014610","","","0.71073","MoKα","","0.0212","0.0196","","","0.0561","0.0568","","","","","","1.136","","","","has coordinates,has Fobs","221299","2020-10-21","18:00:00",""
"2243174","6.438","0.0013","7.2431","0.0014","12.088","0.002","72.6","0.03","77.2","0.03","82.13","0.03","523","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquacopper(II) 4-carboxybenzenesulfonate","","- C14 H22 Cu O16 S2 -","- C14 H22 Cu O16 S2 -","- C14 H22 Cu O16 S2 -","1","0.5","MW2148","Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin","Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts","Acta Crystallographica Section E","2019","75","11","1801","1807","10.1107/S2056989019014610","","","0.71073","MoKα","","0.0672","0.0585","","","0.1349","0.1388","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","221299","2020-10-21","18:00:00",""
"2243175","19.436","0.003","15.644","0.003","5.3355","0.0009","90","","95.651","0.002","90","","1614.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Silver potassium 4-carboxybenzenesulfonate","","- C7 H5 Ag0.69 K0.31 O5 S -","- C7 H5 Ag0.69 K0.31 O5 S -","- C56 H40 Ag5.52 K2.48 O40 S8 -","8","1","MW2148","Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin","Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts","Acta Crystallographica Section E","2019","75","11","1801","1807","10.1107/S2056989019014610","","","0.71073","MoKα","","0.0205","0.0168","","","0.0413","0.0427","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","221299","2020-10-21","18:00:00",""
"2243176","12.8018","0.0007","9.917","0.0006","8.4013","0.0005","90","","94.747","0.001","90","","1062.93","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium silver 4-carboxybenzenesulfonate salt dihydrate","","- C7 H9 Ag0.2 K0.8 O7 S -","- C7 H9 Ag0.2 K0.8 O7 S -","- C28 H36 Ag0.8 K3.2 O28 S4 -","4","1","MW2148","Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin","Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts","Acta Crystallographica Section E","2019","75","11","1801","1807","10.1107/S2056989019014610","","","0.71073","MoKα","","0.0327","0.0251","","","0.0599","0.0633","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","221299","2020-10-21","18:00:00",""
"2243177","7.6695","0.0012","10.6867","0.0018","12.2767","0.0019","64.686","0.004","80.76","0.004","70.395","0.004","856.7","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","2-(2-Bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2H-thiochromene","","- C17 H13 Br F N O3 S -","- C17 H13 Br F N O3 S -","- C34 H26 Br2 F2 N2 O6 S2 -","2","1","VM2223","Pham, Chien Thang; Mac, Dinh Hung; Bui, Thai Thanh Thu","Crystal structures of 2-(2-bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2H-thiochromene and 2-(2-bromo-5-fluorophenyl)-7-methoxy-3-nitro-2H-thiochromene","Acta Crystallographica Section E","2019","75","11","1783","1786","10.1107/S2056989019014178","","","0.71073","MoKα","","0.0859","0.0522","","","0.1148","0.1276","","","","","","1.043","","","","has coordinates,has Fobs","221301","2020-10-21","18:00:00",""
"2243178","7.6231","0.0004","17.3484","0.0008","11.8345","0.0006","90","","106.016","0.002","90","","1504.35","0.13","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(2-Bromo-5-fluorophenyl)-7-methoxy-3-nitro-2H-thiochromene","","- C16 H11 Br F N O3 S -","- C16 H11 Br F N O3 S -","- C64 H44 Br4 F4 N4 O12 S4 -","4","1","VM2223","Pham, Chien Thang; Mac, Dinh Hung; Bui, Thai Thanh Thu","Crystal structures of 2-(2-bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2H-thiochromene and 2-(2-bromo-5-fluorophenyl)-7-methoxy-3-nitro-2H-thiochromene","Acta Crystallographica Section E","2019","75","11","1783","1786","10.1107/S2056989019014178","","","0.71073","MoKα","","0.0439","0.0288","","","0.0637","0.07","","","","","","1.043","","","","has coordinates,has Fobs","221301","2020-10-21","18:00:00",""
"2243179","6.0828","0.0009","9.4246","0.0013","11.1724","0.0016","75.838","0.011","83.099","0.012","84.059","0.011","614.7","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-6-(4-Hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-\ one","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","WM5521","Daoui, Said; Baydere, Cemile; El Kalai, Fouad; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-one","Acta Crystallographica Section E","2019","75","11","1734","1737","10.1107/S2056989019014130","","","0.71073","MoKα","","0.097","0.0558","","","0.1271","0.1472","","","","","","1.003","","","","has coordinates,has Fobs","221303","2020-10-21","18:00:00",""
"2243180","14.0309","0.0016","9.6335","0.0011","16.5804","0.0019","90","","109.23","0.005","90","","2116.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[tris(μ~4~-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]","","- C36 H40 N4 Ni3 O16 -","- C36 H40 N4 Ni3 O16 -","- C72 H80 N8 Ni6 O32 -","2","0.5","EX2025","Ajpi, Cesario; Suescun, Leopoldo; Leiva, Naviana; Lundblad, Anders; Lindbergh, Göran; Cabrera, Saul","Crystal structure and Hirshfeld surface analysis of poly[tris(μ~4~-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network","Acta Crystallographica Section E","2019","75","12","1839","1843","10.1107/S2056989019014658","","","1.54178","CuKα","","0.0419","0.0334","","","0.0867","0.0917","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","225415","2020-10-21","18:00:00",""
"2243181","11.8348","0.0003","11.3208","0.0003","10.6531","0.0003","90","","110.275","0.003","90","","1338.86","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~6~-oxalato)(oxomium)(μ~5~-2-aminobenzene-1,4-dicarboxylato)europium(III)]","","- C10 H6.02 Eu N1.01 O9 -","- C10 H6.024 Eu N1.012 O9 -","- C40 H24.096 Eu4 N4.048 O36 -","4","1","JJ2217","Thammakan, Supaphorn; Panyarat, Kitt; Rujiwatra, Apinpus","Organically pillared layer framework of [Eu(NH~2~‒BDC)(ox)(H~3~O)]","Acta Crystallographica Section E","2019","75","12","1833","1838","10.1107/S2056989019014713","","","0.71073","MoKα","","0.0354","0.0279","","","0.0628","0.0668","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","225416","2020-10-21","18:00:00",""
"2243182","9.5353","0.0007","10.1962","0.0008","14.6331","0.001","95.975","0.002","91.255","0.002","114.847","0.002","1280.58","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Diiodido(η^5^-pentamethylcyclopentadienyl)bis(trimethylphosphane)\ iridiumzinc(Ir—Zn) benzene hemisolvate","","- C19 H36 I2 Ir P2 Zn -","- C19 H36 I2 Ir P2 Zn -","- C38 H72 I4 Ir2 P4 Zn2 -","2","1","ZL2763","Taullaj, Fioralba; Lough, Alan J.; Fekl, Ulrich","An iridium complex with an unsupported Ir—Zn bond: diiodido(η^5^-pentamethylcyclopentadienyl)bis(trimethylphosphane)iridiumzinc(Ir—Zn) benzene hemisolvate","Acta Crystallographica Section E","2019","75","12","1824","1827","10.1107/S2056989019014622","","","0.71073","MoKα","","0.0566","0.0397","","","0.1071","0.1161","","","","","","1.133","","","","has coordinates,has Fobs","225417","2020-10-21","18:00:00",""
"2243183","11.4868","0.0002","8.6444","0.0002","11.5561","0.0002","90","","91.3762","0.0016","90","","1147.15","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4,6-Dimethyl-2-[(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)sulfanyl]pyrimidine","","- C20 H26 N2 O9 S -","- C20 H26 N2 O9 S -","- C40 H52 N4 O18 S2 -","2","1","HB7861","Abu-Zaied, Mamdouh A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4,6-dimethyl-2-[(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)sulfanyl]pyrimidine","Acta Crystallographica Section E","2019","75","12","1820","1823","10.1107/S205698901901449X","","","0.71073","MoKα","","0.0301","0.0281","","","0.0716","0.0728","","","","","","1.04","","","","has coordinates,has Fobs","225418","2020-10-21","18:00:00",""
"2243184","13.2904","0.0002","10.2785","0.0002","14.4968","0.0003","90","","100.254","0.0009","90","","1948.71","0.06","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane","","- C20 H22 N8 O2 -","- C20 H22 N8 O2 -","- C80 H88 N32 O8 -","4","1","FY2138","Byun, Young Min; Ume, Farwa; Ryu, Ji Yeon; Lee, Junseong; Park, Hyoung-Ryun","Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane","Acta Crystallographica Section E","2019","75","12","1844","1847","10.1107/S2056989019014877","","","0.71073","MoKα","","0.0433","0.0373","","","0.0935","0.0983","","","","","","1.047","","","","has coordinates,has Fobs","225419","2020-10-21","18:00:00",""
"2243185","12.634","0.003","4.9426","0.001","16.778","0.003","90","","100.53","0.03","90","","1030.1","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzo[h]quinoline-3-carboxamide","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","SJ5580","Grathwol, Christoph W.; Chrysochos, Nicolas; Elvers, Benedict J.; Link, Andreas; Schulzke, Carola","Crystal structure of benzo[h]quinoline-3-carboxamide","Acta Crystallographica Section E","2019","75","12","1828","1832","10.1107/S2056989019014440","","","0.71073","MoKα","","0.1197","0.0548","","","0.1313","0.1666","","","","","","0.979","","","","has coordinates,has Fobs","225420","2020-10-21","18:00:00",""
"2243186","12.6336","0.0008","7.0701","0.0003","33.5956","0.0015","90","","90","","90","","3000.8","0.3","190","1","190","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Chloro-2-nitrobenzoic acid‒quinolin-4(1H)-one (1/1)‒4-hydroxyquinolinium 4-chloro-2-nitrobenzoate","","- C16 H11 Cl N2 O5 -","- C16 H11 Cl N2 O5 -","- C128 H88 Cl8 N16 O40 -","8","1","LH5935","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structure of 4-chloro-2-nitrobenzoic acid with 4-hydroxyquinoline: a disordered structure over two states of 4-chloro-2-nitrobenzoic acid‒quinolin-4(1H)-one (1/1) and 4-hydroxyquinolinium 4-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","12","1853","1856","10.1107/S205698901901497X","","","0.71075","MoKα","","0.0631","0.0456","","","0.1185","0.1362","","","","","","1.13","","","","has coordinates,has Fobs","225421","2020-10-21","18:00:00",""
"2243187","21.673","0.004","28.296","0.006","9.7466","0.0019","90","","90","","90","","5977","2","83","2","83","2","","","","","","","","5","F d d 2","F 2 -2d","43","tBu2Si{O(Me)ZrCp2}2","(μ-Di-tert-butylsilanediolato)bis[bis(η^5^-cyclopentadienyl)methylzirconium]","","- C30 H44 O2 Si Zr2 -","- C30 H44 O2 Si Zr2 -","- C240 H352 O16 Si8 Zr16 -","8","0.5","HB4319","Berg, David J.; Gajecki, Leah; Hill, Hunter; Twamley, Brendan","(μ-Di-tert-butylsilanediolato)bis[bis(η^5^-cyclopentadienyl)methylzirconium]","Acta Crystallographica Section E","2019","75","12","1848","1852","10.1107/S2056989019014762","","","0.71073","MoKα","","0.0241","0.0236","","","0.0549","0.0551","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","225422","2020-10-21","18:00:00",""
"2243198","22.869","0.004","8.3212","0.0012","12.5627","0.0019","90","","115.348","0.004","90","","2160.5","0.6","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine-κ^2^N,N')bis(2-methoxyethyl xanthato-κS)zinc(II)","","- C18 H22 N2 O4 S4 Zn -","- C18 H22 N2 O4 S4 Zn -","- C72 H88 N8 O16 S16 Zn4 -","4","0.5","LH5934","Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Safyanova, Inna S.","Crystal structure and Hirshfeld surface analysis of a zinc xanthate complex containing the 2,2'-bipyridine ligand","Acta Crystallographica Section E","2019","75","12","1857","1860","10.1107/S2056989019014968","","","0.71073","MoKα","","0.0934","0.0865","","","0.1525","0.1547","","","","","","1.429","","","","has coordinates,has Fobs","227696","2020-10-21","18:00:00",""
"2243199","6.9932","0.0005","16.2916","0.0009","9.3544","0.0007","90","","110.168","0.006","90","","1000.4","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-[(E)-2-(Thiophen-2-yl)ethenyl]-4,5-dihydropyridazin-3(2H)-one","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","MW2150","Daoui, Said; Çınar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure, Hirshfeld surface analysis and DFT studies of 6-[(E)-2-(thiophen-2-yl)ethenyl]-4,5-dihydropyridazin-3(2H)-one","Acta Crystallographica Section E","2019","75","12","1880","1883","10.1107/S2056989019015147","","","0.71073","MoKα","","0.0657","0.0446","","","0.1265","0.1346","","","","","","1.022","","","","has coordinates,has Fobs","227940","2020-10-21","18:00:00",""
"2243200","9.4973","0.0013","7.9733","0.0011","26.682","0.004","90","","90","","90","","2020.5","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetyl-8-methoxy-2H-chromen-2-one","","- C12 H10 O4 -","- C12 H10 O4 -","- C96 H80 O32 -","8","1","DX2020","Gonzalez-Carrillo, Gabino; Muñiz-Valencia, Roberto; García-Báez, Efren V.; Martínez-Martínez, Francisco J.","Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one","Acta Crystallographica Section E","2019","75","12","1866","1870","10.1107/S2056989019015159","","","0.71073","MoKα","","0.0573","0.0411","","","0.1105","0.1159","","","","","","1.101","","","","has coordinates,has Fobs","227943","2020-10-21","18:00:00",""
"2243201","10.1068","0.0005","8.8168","0.0006","16.2628","0.0009","90","","90","","90","","1449.17","0.15","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","Pyridinium tetraisothiocyanatobis(pyridine)chromium(III) pyridine monosolvate","","- C24 H21 Cr N8 S4 -","- C24 H21 Cr N8 S4 -","- C48 H42 Cr2 N16 S8 -","2","0.5","LH5933","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate","Acta Crystallographica Section E","2019","75","12","1875","1879","10.1107/S2056989019014488","","","0.71073","MoKα","","0.0667","0.0428","","","0.0924","0.1056","","","","","","1.024","","","","has coordinates,has Fobs","227944","2020-10-21","18:00:00",""
"2243202","15.6801","0.0008","7.4311","0.0003","15.5968","0.0008","90","","111.424","0.006","90","","1691.77","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","SJ5585","Vu Quoc, Trung; Tran Thi Thuy, Duong; Phung Ngoc, Thanh; Vu Quoc, Manh; Nguyen, Hien; Duong Khanh, Linh; Tu Quang, Anh; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2019","75","12","1861","1865","10.1107/S2056989019015081","","x-ray","0.71073","MoKα","","0.0722","0.061","","","0.1761","0.1871","","","","","","1.053","","","","has coordinates,has Fobs","227945","2020-10-21","18:00:00",""
"2243203","23.401","0.0017","10.6604","0.0008","33.543","0.002","90","","91.964","0.001","90","","8362.9","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κO]pentakis(methanol-\ κO)europium methanol monosolvate","","- C78 H126 Eu O18 P3 -","- C78 H126 Eu O18 P3 -","- C312 H504 Eu4 O72 P12 -","4","1","SU5526","Kalugin, Alexey E.; Lyssenko, Konstantin A.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Puntus, Lada N.; Varaksina, Evgenia A.; Nifant'ev, Ilya E.","Crystal structure of tris[bis(2,6-diisopropylphenyl) phosphato-κO]pentakis(methanol-κO)europium methanol monosolvate","Acta Crystallographica Section E","2019","75","12","1892","1896","10.1107/S2056989019015421","","","0.71073","MoKα","","0.0679","0.0487","","","0.0861","0.0914","","","","","","1.157","","","","has coordinates,has disorder,has Fobs","231077","2020-10-21","18:00:00",""
"2243204","8.98884","0.00006","17.01605","0.0001","8.67653","0.00005","90","","90","","90","","1327.11","0.014","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","Triammonium dialuminium tris(phosphate)","","- Al2 H12 N3 O12 P3 -","- Al2 H12 N3 O12 P3 -","- Al8 H48 N12 O48 P12 -","4","1","WM5528","Nicholas, Christopher P.; Mowat, John P.S.; Broach, Robert W.","Structure refinement of (NH~4~)~3~Al~2~(PO~4~)~3~ prepared by ionothermal synthesis in phosphonium based ionic liquids ‒ a redetermination","Acta Crystallographica Section E","2019","75","12","1897","1901","10.1107/S2056989019015330","powder diffraction","x-ray","0.373811","synchrotron","","","","","","","","","","1.69","","","","","","","has coordinates","231078","2020-10-21","18:00:00",""
"2243205","8.973","0.0005","20.9171","0.0009","23.9201","0.0011","90","","90","","90","","4489.5","0.4","104","2","104","7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","jatrophan","(2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-Tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(E)-diene","","- C46 H56 O15 -","- C46 H56 O15 -","- C184 H224 O60 -","4","1","FY2141","Yang, Hequn; Zhao, Jiangyu; Talipov, Samat; Izotova, Lidiya; Aisa, Hadji Akbar; Ibragimov, Bakhtiyar","Crystal and molecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(E)-diene","Acta Crystallographica Section E","2019","75","12","1884","1887","10.1107/S205698901901541X","","","1.54184","CuKα","","0.0793","0.0563","","","0.136","0.1534","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","231079","2020-10-21","18:00:00",""
"2243206","3.851","0.0002","22.2541","0.0011","13.7837","0.0009","90","","96.766","0.005","90","","1173.04","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-Hydroxybenzylidene)chroman-4-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","RZ5266","Suchojad, Kamil; Dołega, Anna; Adamus-Grabicka, Angelika; Budzisz, Elżbieta; Małecka, Magdalena","Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one","Acta Crystallographica Section E","2019","75","12","1907","1913","10.1107/S2056989019015639","","","0.71073","MoKα","","0.0874","0.0483","","","0.1044","0.1151","","","","","","1.025","","","","has coordinates,has Fobs","231199","2020-10-21","18:00:00",""
"2243207","5.3969","0.0006","11.6576","0.0016","12.944","0.002","91.992","0.012","98.282","0.01","97.568","0.01","797.66","0.19","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","(E)-3-(3-Hydroxybenzylidene)-2-phenylchroman-4-one","","- C22 H16 O3 -","- C22 H16 O3 -","- C44 H32 O6 -","2","1","RZ5266","Suchojad, Kamil; Dołega, Anna; Adamus-Grabicka, Angelika; Budzisz, Elżbieta; Małecka, Magdalena","Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one","Acta Crystallographica Section E","2019","75","12","1907","1913","10.1107/S2056989019015639","","","0.71073","MoKα","","0.1371","0.0676","","","0.1679","0.1999","","","","","","0.944","","","","has coordinates,has Fobs","231199","2020-10-21","18:00:00",""
"2243208","7.312","0.002","8.847","0.003","11.039","0.003","100.05","0.007","102.247","0.006","104.314","0.007","656.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,4-Bis([2,2':6',2''-terpyridin]-4'-yl)benzene","","- C36 H24 N6 -","- C36 H24 N6 -","- C36 H24 N6 -","1","0.5","SU5525","Sedykh, Alexander E.; Kurth, Dirk G.; Müller-Buschbaum, Klaus","The crystal structure of the triclinic polymorph of 1,4-bis([2,2':6',2''-terpyridin]-4'-yl)benzene","Acta Crystallographica Section E","2019","75","12","1947","1951","10.1107/S2056989019015810","","","0.71073","MoKα","","0.083","0.0465","","","0.1188","0.1334","","","","","","1.09","","","","has coordinates,has Fobs","244827","2020-10-21","18:00:00",""
"2243209","7.1507","0.0003","8.8177","0.0004","15.4602","0.0007","90","","97.914","0.002","90","","965.52","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","LH5936","Saber, Asmaa; Srhir, Mohamed; Hökelek, Tuncer; Mague, Joel T.; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2019","75","12","1940","1946","10.1107/S2056989019015779","","","1.54178","CuKα","","0.0355","0.0329","","","0.0831","0.0856","","","","","","1.06","","","","has coordinates,has Fobs","244828","2020-10-21","18:00:00",""
"2243210","8.4213","0.0007","9.0739","0.0009","12.2238","0.0012","106.501","0.008","92.39","0.008","100.75","0.008","875.43","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[5-(4-Methylbenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetic acid","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C40 H36 N4 O6 -","2","1","","Daoui, Said; Baydere, Cemile; El Kalai, Fouad; Mahi, Lhassane; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[5-(4-methylbenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetic acid","Acta Crystallographica Section E","2019","75","12","1925","1929","10.1107/S2056989019015317","","","0.71073","MoKα","","0.0767","0.0461","","","0.1187","0.1298","","","","","","1.014","","","","has coordinates,has Fobs","244829","2020-10-21","18:00:00",""
"2243211","8.4766","0.0002","9.4841","0.0002","16.9904","0.0003","90","","94.308","0.001","90","","1362.05","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2S,3R)-3-(3-amino-1H-1,2,4-triazol-1-yl)-2-hydroxy-3-phenylpropanoate","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","TX2015","Ben Ali, Abdelkader; El Bakri, Youness; Lai, Chin-Hung; Sebhaoui, Jihad; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure, computational study and Hirshfeld surface analysis of ethyl (2S,3R)-3-(3-amino-1H-1,2,4-triazol-1-yl)-2-hydroxy-3-phenylpropanoate","Acta Crystallographica Section E","2019","75","12","1919","1924","10.1107/S2056989019015743","","","1.54178","CuKα","","0.0356","0.0325","","","0.0813","0.084","","","","","","1.052","","","","has coordinates,has Fobs","244830","2020-10-21","18:00:00",""
"2243212","8.2301","0.0005","10.1593","0.0006","15.9428","0.0009","102.496","0.005","90.597","0.005","103.213","0.005","1264.46","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","2","MW2151","Doğan, Onur Erman; Dege, Necmi; Ağar, Erbil; Fritsky, Igor O.","(E)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","12","1930","1933","10.1107/S2056989019015718","","","0.71073","MoKα","","0.0696","0.0383","","","0.0733","0.0812","","","","","","0.974","","","","has coordinates,has Fobs","244831","2020-10-21","18:00:00",""
"2243213","28.3247","0.0007","28.3247","0.0007","7.282","0.0002","90","","90","","90","","5842.3","0.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","1-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-2-(1,3-dithiolan-2-ylidene)ethanone monohydrate","","- C14 H16 N2 O2 S2 -","- C14 H16 N2 O2 S2 -","- C224 H256 N32 O32 S32 -","16","1","VM2224","Bibila Mayaya Bisseyou, Yvon; Ouattara, Mahama; Soro, Pénétjiligué Adama; Yao-Kakou, R. C. A.; Tenon, Abodou Jules","Crystal structure, Hirshfeld surface analysis and contact enrichment ratios of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-(1,3-dithiolan-2-ylidene)ethanone monohydrate","Acta Crystallographica Section E","2019","75","12","1934","1939","10.1107/S2056989019015755","","","0.71073","MoKα","","0.0591","0.036","","","0.0884","0.1021","","","","","","1.041","","","","has coordinates,has disorder","244832","2020-10-21","18:00:00",""
"2243606","8.8455","0.0005","16.4492","0.0009","11.2721","0.0006","90","","97.338","0.001","90","","1626.67","0.15","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[bis(dimethylammonium) [(μ~4~-2,5-dihydroxybenzene-1,4-diphosphonato)zinc(II)]]","","- C10 H20 N2 O8 P2 Zn -","- C10 H20 N2 O8 P2 Zn -","- C40 H80 N8 O32 P8 Zn4 -","4","1","HB7847","Soriano, Josemaria S.; Galeas, Bryan E.; Garrett, Paul; Flores, Ryan A.; Pinedo, Juan L.; Kohlgruber, Tsuyoshi A.; Felton, Daniel; Adelani, Pius O.","In situ decarbonylation of N,N-dimethylformamide to form dimethylammonium cations in the hybrid framework compound {[(CH~3~)~2~NH~2~]~2~[Zn{O~3~PC~6~H~2~(OH)~2~PO~3~}]}~n~","Acta Crystallographica Section E","2019","75","10","1540","1543","10.1107/S2056989019012969","","","0.71073","MoKα","","0.0273","0.0219","","","0.0573","0.0596","","","","","","1.052","","","","has coordinates,has Fobs","256849","2020-10-21","18:00:00",""
"2243607","14.2567","0.0003","39.028","0.0007","15.2295","0.0003","90","","100.136","0.001","90","","8341.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzo[1,2-c:3,4-c':5,6-c'']trithiophene‒7,7,8,8-tetracyanoquinodimethane","","- C24 H10 N4 S3 -","- C24 H10 N4 S3 -","- C384 H160 N64 S48 -","16","4","ZL2760","Qin, Qian; Mague, Joel T.; Gould, Haley E.; Vasquez, Samuel E.; Heyer, Anthony E.","Crystal structures of two charge‒transfer complexes of benzo[1,2-c:3,4-c':5,6-c'']trithiophene (D~3h~-BTT)","Acta Crystallographica Section E","2019","75","10","1573","1577","10.1107/S2056989019013161","","","1.54178","CuKα","","0.0611","0.0437","","","0.1018","0.1122","","","","","","1.03","","","","has coordinates,has Fobs","256850","2020-10-21","18:00:00",""
"2243608","10.0139","0.0006","17.4327","0.001","13.0286","0.0008","90","","108.816","0.002","90","","2152.8","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Benzo[1,2-c:3,4-c':5,6-c'']trithiophene‒\ buckminsterfullerene‒toluene","","- C79 H14 S3 -","- C79 H14 S3 -","- C158 H28 S6 -","2","1","ZL2760","Qin, Qian; Mague, Joel T.; Gould, Haley E.; Vasquez, Samuel E.; Heyer, Anthony E.","Crystal structures of two charge‒transfer complexes of benzo[1,2-c:3,4-c':5,6-c'']trithiophene (D~3h~-BTT)","Acta Crystallographica Section E","2019","75","10","1573","1577","10.1107/S2056989019013161","","","1.54178","CuKα","","0.0449","0.0417","","","0.1085","0.1122","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","256850","2020-10-21","18:00:00",""
"2243609","14.6899","0.0004","15.025","0.0003","12.2269","0.0003","90","","106.843","0.0015","90","","2582.9","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[2-(1H-benzimidazol-2-yl-κN^3^)aniline-κN]bis(nitrato-κO)cadmium(II)","","- C26 H22 Cd N8 O6 -","- C26 H22 Cd N8 O6 -","- C104 H88 Cd4 N32 O24 -","4","0.5","IS5523","Kim, Yongtae; Kang, Sung Kwon","Crystal structure of bis[2-(1H-benzimidazol-2-yl-κN^3^)aniline-κN]bis(nitrato-κO)cadmium(II)","Acta Crystallographica Section E","2019","75","10","1463","1466","10.1107/S2056989019012416","","","0.71073","MoKα","","0.0414","0.0346","","","0.0753","0.0784","","","","","","1.058","","","","has coordinates,has Fobs","256851","2020-10-21","18:00:00",""
"2243610","27.2823","0.0014","19.7693","0.0012","9.9674","0.0005","90","","94.614","0.007","90","","5358.5","0.5","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[bis(3-oxo-1,3-diphenylprop-1-enolato-κ^2^O,O')zinc(II)]-μ~2~-tris[4-(pyridin-3-yl)phenyl]amine-κ^2^N:N'] tetrahydrofuran monosolvate]","","- C67 H54 N4 O5 Zn -","- C67 H54 N4 O5 Zn -","- C268 H216 N16 O20 Zn4 -","4","1","IS5520","Kashiwagi, Yukiyasu; Kubono, Koji; Tamai, Toshiyuki","Crystal structure of catena-poly[[[bis(3-oxo-1,3-diphenylprop-1-enolato-κ^2^O,O')zinc(II)]-μ~2~-tris[4-(pyridin-3-yl)phenyl]amine-κ^2^N:N'] tetrahydrofuran monosolvate]","Acta Crystallographica Section E","2019","75","10","1432","1435","10.1107/S2056989019012350","","","0.71075","MoKα","","0.0959","0.0575","","","0.1152","0.1284","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","256852","2020-10-21","18:00:00",""
"2243611","12.9858","0.0003","5.2162","0.0001","6.6804","0.0002","90","","90","","90","","452.507","0.019","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","barium zinc copper","","- Ba Cu2.6 Zn2.4 -","- Ba Cu2.6 Zn2.4 -","- Ba4 Cu10.4 Zn9.6 -","4","0.5","VN2152","Simura, Rayko; Yamane, Hisanori","α-SrZn~5~-Type solid solution, BaZn~2.6~Cu~2.4~","Acta Crystallographica Section E","2019","75","10","1490","1493","10.1107/S2056989019012532","","","0.71073","MoKα","","0.0207","0.0173","","","0.0309","0.0322","","","","","","1.173","","","","has coordinates,has Fobs","256853","2020-10-21","18:00:00",""
"2243612","5.9496","0.0003","5.2484","0.0002","11.0029","0.0005","90","","100.245","0.001","90","","338.1","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[hydrazinium(1+)] hexafluoridosilicate","","- F6 H10 N4 Si -","- F6 H10 N4 Si -","- F12 H20 N8 Si2 -","2","0.5","HB7850","Ouasri, Ali; Lambarki, Fatima; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure and Hirshfeld surface analysis of bis[hydrazinium(1+)] hexafluoridosilicate: (N~2~H~5~)~2~SiF~6~","Acta Crystallographica Section E","2019","75","10","1507","1510","10.1107/S2056989019012672","","","0.71073","MoKα","","0.0229","0.0206","","","0.0575","0.0586","","","","","","1.064","","","","has coordinates,has Fobs","256854","2020-10-21","18:00:00",""
"2243613","6.5264","0.0003","8.9024","0.0003","18.9261","0.0007","82.228","0.001","87.074","0.001","74.739","0.001","1050.96","0.07","296","","296","","","","","","","","","6","P -1","-P 1","2","","((Cyclohexylamino){(Z)-2-[(E)-5-methoxy-3-nitro-2-oxidobenzylidene-κO]hydrazin-1-ylidene-κN^2^}methanethiolato-κS)(dimethyl sulfoxide-κS)platinum(II)","","- C17 H24 N4 O5 Pt S2 -","- C17 H24 N4 O5 Pt S2 -","- C34 H48 N8 O10 Pt2 S4 -","2","1","","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook","The crystal structure of ((cyclohexylamino){(Z)-2-[(E)-5-methoxy-3-nitro-2-oxidobenzylidene-κO]hydrazin-1-ylidene-κN^2^}methanethiolato-κS)(dimethyl sulfoxide-κS)platinum(II): a supramolecular two-dimensional network","Acta Crystallographica Section E","2019","75","10","1486","1489","10.1107/S2056989019012623","","","0.71073","MoKα","","0.0214","0.0186","","","0.041","0.042","","","","","","1.085","","","","has coordinates,has Fobs","256855","2020-10-21","18:00:00",""