# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-27T00:43:04+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta crystallographica. Section E, Crystallographic communications') AND volume = 71 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
"2311278","9.965","0.002","10.982","0.002","16.926","0.003","90","","90","","90","","1852.3","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,7,8,9-Tetrachloro-4-(2-fluorobenzyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C17 H12 Cl4 F N O4 -","- C17 H12 Cl4 F N O4 -","- C68 H48 Cl16 F4 N4 O16 -","4","1","HB7331","Zhong, Jia-Liang; Hou, Jia-Wei; Liu, Li-Hong; Liu, He","Crystal structure of 1,7,8,9-tetra-chloro-4-(2-fluoro-benz-yl)-10,10-dimeth-oxy-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 1","o32","","10.1107/S2056989014026279","","","0.71073","MoKα","","0.0679","0.0456","","","0.0928","0.1008","","","","","","1","","","","has coordinates","245751","2020-10-21","18:00:00",""
"2311279","8.25131","0.0001","11.85605","0.00014","12.9415","0.00015","90","","90","","90","","1266.04","0.03","99.8","0.4","99.8","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>fac</i>-(Acetonitrile-κ<i>N</i>)trichlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(III)","","- C10 H15 Cl3 Ir N -","- C10 H15 Cl3 Ir N -","- C40 H60 Cl12 Ir4 N4 -","4","1","PK2547","Morris, David M.; Merola, Joseph S.","Serendipitous preparation of fac-(aceto-nitrile-κN)tri-chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(III).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 4","371","373","10.1107/S2056989015004855","","","0.71073","MoKα","","0.0206","0.0188","","","0.0368","0.0375","","","","","","1.081","","","","has coordinates","245752","2020-10-21","18:00:00",""
"2311280","6.8656","0.0005","12.6428","0.0008","7.0931","0.0005","90","","110.579","0.008","90","","576.4","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","i>cis</i>-Diamminebis(nitrito-κ<i>N</i>)platinum(II)","","- H6 N4 O4 Pt -","- H6 N4 O4 Pt -","- H24 N16 O16 Pt4 -","4","1","WM5133","Kahlenberg, Volker; Gelbrich, Thomas; Tessadri, Richard; Klauser, Frederik","Crystal structure of cis-diamminebis(nitrito-κN)platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 4","366","370","10.1107/S2056989015004879","","","0.71073","MoKα","","0.0207","0.0182","","","0.0427","0.0442","","","","","","1.045","","","","has coordinates","245753","2020-10-21","18:00:00",""
"2311281","19.347","0.005","5.9339","0.0012","13.165","0.002","90","","122.266","0.008","90","","1278","0.5","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1<i>E</i>,1'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis[(pyridin-2-yl)methanimine]","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","0.5","SU5142","Abdoh, Muneer; Warad, Ismail; Naveen, S.; Lokanath, N. K.; Salghi, Rachid","Crystal structure of (1E,1'E)-N,N'-(ethane-1,2-di-yl)bis-[(pyridin-2-yl)methanimine].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 6","o431","","10.1107/S2056989015010087","","","1.54178","CuKα","","0.0438","0.0425","","","0.1188","0.1203","","","","","","1.054","","","","has coordinates","245754","2020-10-21","18:00:00",""
"2311282","8.1035","0.0004","12.0193","0.0005","15.1312","0.0007","90","","94.347","0.002","90","","1469.52","0.12","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(Thiophen-2-yl)-5-<i>p</i>-tolyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","5-(4-Methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C15 H15 N3 S2 -","- C15 H15 N3 S2 -","- C60 H60 N12 S8 -","4","1","SU5147","Naveen, S.; Pavithra, G.; Abdoh, Muneer; Ajay Kumar, K.; Warad, Ismail; Lokanath, N. K.","Crystal structure of 3-(thio-phen-2-yl)-5-p-tolyl-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","763","765","10.1107/S2056989015010774","","","1.54178","CuKα","","0.0481","0.0463","","","0.1247","0.1268","","","","","","1.07","","","","has coordinates","245755","2020-10-21","18:00:00",""
"2311283","7.754","0.002","11.346","0.003","21.187","0.006","90","","90","","90","","1864","0.9","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-2-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","1","LH5765","Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas","Crystal structure of 3-acet-oxy-2-methyl-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o474","","10.1107/S2056989015010865","","","0.71073","MoKα","","0.1347","0.0626","","","0.1465","0.1843","","","","","","1.025","","","","has coordinates","245756","2020-10-21","18:00:00",""
"2311284","7.8835","0.001","14.4041","0.0019","15.231","0.002","90","","94.94","0.004","90","","1723.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-acetyl-3,7-dimethyl-5-(thiophen-2-yl)-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C17 H18 N2 O3 S2 -","- C17 H18 N2 O3 S2 -","- C68 H72 N8 O12 S8 -","4","1","HB7433","Prasad, N. L.; Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio-phen-2-yl)-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o477","8","10.1107/S2056989015010981","","","0.71073","MoKα","","0.1076","0.0647","","","0.1708","0.1892","","","","","","0.998","","","","has coordinates","245757","2020-10-21","18:00:00",""
"2311285","20.6017","0.0014","6.1461","0.0004","25.9689","0.0016","90","","94.332","0.004","90","","3278.8","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3-Amino-1-(4-methoxyphenyl)-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","HG5445","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-meth-oxy-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o468","9","10.1107/S2056989015011020","","","1.54178","CuKα","","0.0416","0.0409","","","0.1152","0.1161","","","","","","1.033","","","","has coordinates","245758","2020-10-21","18:00:00",""
"2311286","10.056","0.007","6.172","0.003","12.751","0.006","90","","99.641","0.017","90","","780.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Amino-1-(4-chlorophenyl)-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C40 H26 Cl2 N4 O2 -","2","1","SJ5465","Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-chloro-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o481","2","10.1107/S2056989015011159","","","1.54178","CuKα","","0.028","0.0276","","","0.0748","0.075","","","","","","1.06","","","","has coordinates","245759","2020-10-21","18:00:00",""
"2311287","9.1662","0.0001","5.7246","0.0001","13.9177","0.0002","90","","90.153","0.001","90","","730.298","0.018","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-4-phenyl-4<i>H</i>-benzo[<i>h</i>]chromene-3-carbonitrile","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","TK5369","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o516","7","10.1107/S2056989015011536","","","1.54178","CuKα","","0.0329","0.0314","","","0.0926","0.0928","","","","","","1.092","","","","has coordinates","245760","2020-10-21","18:00:00",""
"2311288","8.3444","0.0003","9.3508","0.0004","12.2723","0.0005","104.079","0.002","97.282","0.002","93.904","0.002","916.43","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","HB7449","Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of ethyl 2-(2,4,5-tri-meth-oxy-phen-yl)quinoline-4-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o514","5","10.1107/S2056989015011706","","","1.54178","CuKα","","0.0446","0.0387","","","0.1107","0.1171","","","","","","1.04","","","","has coordinates,has disorder","245761","2020-10-21","18:00:00",""
"2311289","19.3941","0.0005","12.711","0.0003","10.145","0.0003","90","","103.306","0.002","90","","2433.79","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(<i>E</i>)-({2-[3-(2-{(1<i>E</i>)-[(Carbamothioylamino)imino]methyl}phenoxy)propoxy]phenyl}methylidene)amino]thiourea","","- C19 H22 N6 O2 S2 -","- C19 H22 N6 O2 S2 -","- C76 H88 N24 O8 S8 -","4","0.5","HB7453","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o530","1","10.1107/S2056989015012074","","","1.54178","CuKα","","0.051","0.0397","","","0.1041","0.1116","","","","","","1.058","","","","has coordinates","245762","2020-10-21","18:00:00",""
"2311290","7.616","0.0004","8.3267","0.0005","13.9011","0.0007","84.999","0.002","77.631","0.001","74.347","0.002","828.75","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vortioxetine","1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine","","- C18 H22 N2 S -","- C18 H22 N2 S -","- C36 H44 N4 S2 -","2","1","HB7395","Zhou, Xin-Bo; Gu, Jian-Ming; Sun, Meng-Ying; Hu, Xiu-Rong; Wu, Su-Xiang","Crystal structures of vortioxetine and its methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","883","885","10.1107/S2056989015012256","","","0.71073","MoKα","","0.1086","0.0563","","","0.1269","0.1852","","","","","","1.002","","","","has coordinates","245763","2020-10-21","18:00:00",""
"2311291","13.21","0.0007","18.15","0.0009","8.1746","0.0004","90","","104.378","0.002","90","","1898.57","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine methanol monosolvate","","- C19 H26 N2 O S -","- C19 H26 N2 O S -","- C76 H104 N8 O4 S4 -","4","1","HB7395","Zhou, Xin-Bo; Gu, Jian-Ming; Sun, Meng-Ying; Hu, Xiu-Rong; Wu, Su-Xiang","Crystal structures of vortioxetine and its methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","883","885","10.1107/S2056989015012256","","","0.71073","MoKα","","0.1056","0.0524","","","0.1186","0.1559","","","","","","1","","","","has coordinates","245763","2020-10-21","18:00:00",""
"2311292","12.4859","0.0017","14.3697","0.0019","7.732","0.001","90","","90","","90","","1387.3","0.3","120","2","120.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","2,6-Dimethyl-4-pyridone hemihydrate","2,6-Dimethyl-1<i>H</i>-pyridin-4-one hemihydrate","","- C7 H10 N O1.5 -","- C7 H10 N O1.5 -","- C56 H80 N8 O12 -","8","1","FF2139","Nguyen, Dalena M.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o533","","10.1107/S2056989015012402","","","1.54178","CuKα","","0.0306","0.0304","","","0.078","0.0782","","","","","","1.092","","","","has coordinates","245764","2020-10-21","18:00:00",""
"2311293","18.3084","0.0013","6.0743","0.0004","24.5339","0.0017","90","","106.471","0.002","90","","2616.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-7-hydroxy-4-(4-hydroxyphenyl)-4<i>H</i>-chromene-3-carbonitrile","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C128 H96 N16 O24 -","8","1","XU5857","Horton, Peter N.; Akkurt, Mehmet; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-amino-7-hy-droxy-4-(4-hy-droxy-phen-yl)-4H-chromene-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o546","7","10.1107/S2056989015012815","","","0.71075","MoKα","","0.0416","0.0341","","","0.0873","0.0905","","","","","","1.061","","","","has coordinates","245765","2020-10-21","18:00:00",""
"2311294","12.577","0.0002","5.7977","0.0001","14.839","0.0003","90","","94.679","0.002","90","","1078.42","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(bromoacetyl)-6-chloro-2H-chromen-2-one","3-Bromoacetyl-6-chloro-2<i>H</i>-1-benzopyran-2-one","","- C11 H6 Br Cl O3 -","- C11 H6 Br Cl O3 -","- C44 H24 Br4 Cl4 O12 -","4","1","LH5773","Chennuru, Ramanaiah; Maddimsetti, Balaji; Gundlapalli, Suman; Babu, R. Ravi Chandra; Mahapatra, Sudarshan","Crystal structure of 3-bromo-acetyl-6-chloro-2H-1-benzo-pyran-2-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o615","6","10.1107/S2056989015012955","","","0.71073","MoKα","","0.0451","0.0303","","","0.0734","0.0762","","","","","","0.954","","","","has coordinates","245766","2020-10-21","18:00:00",""
"2311295","13.0977","0.0009","7.4932","0.0004","14.1123","0.0009","90","","90.149","0.005","90","","1385.03","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2<i>H</i>)-one","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","RZ5163","Aydın, Abdullah; Akkurt, Mehmet; Şüküroğlu, Murat; Büyükgüngör, Orhan","Crystal structure of 4-(4-chloro-phen-yl)-6-(morpholin-4-yl)pyridazin-3(2H)-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","944","946","10.1107/S2056989015012980","","","0.71073","MoKα","","0.0514","0.0389","","","0.0993","0.1056","","","","","","1.043","","","","has coordinates","245767","2020-10-21","18:00:00",""
"2311296","16.8552","0.0004","22.7112","0.0007","15.5503","0.0004","90","","90","","90","","5952.7","0.3","173","2","173","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Undecapotassium bis[α-hemipentahydrogen hexamolybdoplatinate(IV)] dodecahydrate","","- H14.5 K5.5 Mo6 O30 Pt -","- H14.5 K5.5 Mo6 O30 Pt -","- H116 K44 Mo48 O240 Pt8 -","8","0.5","","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Crystal structure of undeca-potassium bis-[α-hemi-penta-hydrogen hexa-molybdoplatinate(IV)] dodeca-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","986","988","10.1107/S2056989015014188","","","0.71073","MoKα","","0.0391","0.0306","","","0.0722","0.0761","","","","","","1.058","","","","has coordinates","245768","2020-10-21","18:00:00",""
"2311297","9.7665","0.0005","7.795","0.0004","27.0602","0.0016","90","","95.186","0.005","90","","2051.66","0.19","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-[(3-oxo-3<i>H</i>-Benzo[<i>f</i>]chromen-1-yl)methyl]-2-trifluoromethyl-9a,10-dihydrobenz[4,5]imidazo[1,2-<i>a</i>]pyrimidin-4(5a<i>H</i>)-one","","- C25 H14 F3 N3 O3 -","- C25 H14 F3 N3 O3 -","- C100 H56 F12 N12 O12 -","4","1","HB7467","Chandra, ?; Kumar, Shamantha; Puttaraju, K. B.; Shivashankar, K.; Mahendra, M.","Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)meth-yl]-2-tri-fluoro-methyl-9a,10-di-hydro-benz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","o672","3","10.1107/S2056989015014425","","","0.71073","MoKα","","0.1119","0.057","","","0.1289","0.1764","","","","","","1.003","","","","has coordinates","245769","2020-10-21","18:00:00",""
"2311298","8.6844","0.0004","10.8112","0.0005","11.9235","0.0006","90","","95.2046","0.0009","90","","1114.87","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Aminopyridinium 6-chloronicotinate","2-Aminopyridinium 6-chloropyridine-3-carboxylate","","- C11 H10 Cl N3 O2 -","- C11 H10 Cl N3 O2 -","- C44 H40 Cl4 N12 O8 -","4","1","LH5778","Jasmine, N. Jeeva; Rajam, A.; Muthiah, P. Thomas; Stanley, N.; Razak, I. Abdul; Rosli, M. Mustaqim","Crystal structure of 2-amino-pyridinium 6-chloro-nicotinate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","o655","6","10.1107/S2056989015014796","","","0.71073","MoKα","","0.0328","0.0305","","","0.0898","0.0921","","","","","","1.069","","","","has coordinates","245770","2020-10-21","18:00:00",""
"2311299","14.6117","0.0003","9.3345","0.0002","27.3451","0.0007","90","","102.734","0.001","90","","3637.94","0.14","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","<i>cis</i>,<i>fac</i>-{<i>N</i>,<i>N</i>-Bis[(pyridin-2-yl)methyl]methylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","","- C15 H21 Cl2 N3 O Ru S -","- C15 H21 Cl2 N3 O Ru S -","- C120 H168 Cl16 N24 O8 Ru8 S8 -","8","1","","Trotter, Kasey; Arulsamy, Navamoney; Hulley, Elliott","Crystal structure of cis,fac-{N,N-bis-[(pyridin-2-yl)meth-yl]methyl-amine-κ(3) N,N',N''}di-chlorido-(dimethyl sulfoxide-κS)ruthenium(II).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","m169","70","10.1107/S2056989015014875","","","0.71073","MoKα","","0.066","0.0389","","","0.0748","0.0847","","","","","","1.008","","","","has coordinates","245771","2020-10-21","18:00:00",""
"2311300","8.9298","0.0006","11.587","0.0008","15.7459","0.0011","100.94","0.002","104.804","0.002","98.153","0.002","1515.12","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H15 F N2 O2 S -","- C14 H15 F N2 O2 S -","- C56 H60 F4 N8 O8 S4 -","4","2","LH5781","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 4-(2-fluoro-phen-yl)-6-methyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o699","700","10.1107/S2056989015015145","","","0.71073","MoKα","","0.12","0.0746","","","0.2087","0.2281","","","","","","0.982","","","","has coordinates","245773","2020-10-21","18:00:00",""
"2311301","10.2314","0.0016","11.0693","0.0018","11.3254","0.0019","91.736","0.008","98.695","0.008","105.345","0.008","1219.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1'-Ethylspiro[chroman-4,4'-imidazolidine]-2',5'-dione","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","2","SU5194","Benaka Prasad, S. B.; Naveen, S.; Madaiah, M.; Lokanath, N. K.; Warad, Ismail; Abdoh, Muneer","Crystal structure of 1'-ethyl-spiro[chroman-4,4'-imidazolidine]-2',5'-dione: a hydantoine derivative.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o705","6","10.1107/S2056989015016175","","","1.54178","CuKα","","0.0999","0.0643","","","0.1704","0.1853","","","","","","1.044","","","","has coordinates","245774","2020-10-21","18:00:00",""
"2311302","12.218","0.003","7.332","0.002","30.923","0.008","90","","90","","90","","2770.2","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C104 H144 N16 O24 S8 -","8","1","HB7483","Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-acetyl-2-{[(di-methyl-amino)-methyl-idene]amino}-4-methyl-thio-phene-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o762","3","10.1107/S2056989015016217","","","0.71073","MoKα","","0.0917","0.0583","","","0.1381","0.1732","","","","","","1.185","","","","has coordinates","245775","2020-10-21","18:00:00",""
"2311303","9.9","0.0006","11.8563","0.0007","19.0377","0.0011","80.827","0.002","83.999","0.002","86.071","0.002","2190.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-Acetyl-5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-3,7-dimethyl-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-8-ium chloride","","- C21 H25 Cl N2 O5 S -","- C21 H25 Cl N2 O5 S -","- C84 H100 Cl4 N8 O20 S4 -","4","2","HB7484","Prasad, N. L.; Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of 2-acetyl-5-(3,4-di-meth-oxy-phen-yl)-6-eth-oxy-carbonyl-3,7-dimethyl-5H-thia-zolo[3,2-a]pyrimidin-8-ium chloride.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o764","5","10.1107/S2056989015016229","","","0.71073","MoKα","","0.1211","0.0547","","","0.1127","0.1339","","","","","","0.966","","","","has coordinates,has disorder","245776","2020-10-21","18:00:00",""
"2311304","10.9635","0.0004","14.972","0.0005","13.0087","0.0004","90","","102.977","0.003","90","","2080.78","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ~2~-1,1'-Bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>:<i>P</i>']bis[(pyrrolidine-1-carbodithioato-κ<i>S</i>)gold(I)]","","- C44 H44 Au2 Fe N2 P2 S4 -","- C44 H44 Au2 Fe N2 P2 S4 -","- C88 H88 Au4 Fe2 N4 P4 S8 -","2","0.5","VN2097","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of [μ2-1,1'-bis-(di-phenyl-phos-phanyl)ferrocene-κ(2) P:P']bis-[(pyrrolidine-1-carbo-dithioato-κS)gold(I)].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","1143","1146","10.1107/S2056989015016382","","","0.71073","MoKα","","0.0257","0.0221","","","0.0489","0.0509","","","","","","1.063","","","","has coordinates","245777","2020-10-21","18:00:00",""
"2311305","8.7215","0.0003","8.7215","0.0003","20.9874","0.0009","90","","90","","120","","1382.52","0.09","296","","296","","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetra-μ~2~-cyanido-κ^4^<i>C</i>:<i>N</i>;κ^4^<i>N</i>:<i>C</i>-manganese(II)disilver(I)]","","- C14 H8 Ag2 Mn N6 -","- C14 H8 Ag2 Mn N6 -","- C42 H24 Ag6 Mn3 N18 -","3","0.5","VN2098","Theppitak, Chatphorn; Chainok, Kittipong","Crystal structure of poly[(2,2'-bi-pyridine-κ(2) N,N')tetra-μ2-cyanido-κ(4) C:N;κ(4) N:C-manganese(II)disilver(I)].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","m179","80","10.1107/S205698901501676X","","","0.71073","MoKα","","0.0153","0.015","","","0.0381","0.0383","","","","","","1.072","","","","has coordinates","245778","2020-10-21","18:00:00",""
"2311306","5.145","0.0002","15.1359","0.0007","19.5828","0.0009","90","","96.547","0.004","90","","1515.05","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-phenyl-6-propylamino-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile","","- C17 H17 N5 -","- C17 H17 N5 -","- C68 H68 N20 -","4","1","HB7504","Jasinski, Jerry P.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdu-Allah, Hajjaj H M; Albayati, Mustafa R.","Crystal structure of 3-methyl-1-phenyl-6-propyl-amino-1H-pyrazolo[3,4-b]pyridine-5-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o766","7","10.1107/S2056989015017004","","","0.71073","MoKα","","0.0761","0.0553","","","0.1288","0.1433","","","","","","1.03","","","","has coordinates","245779","2020-10-21","18:00:00",""
"2311307","16.271","0.005","5.3804","0.0013","16.7","0.004","90","","90","","90","","1462","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Benzylsulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C14 H11 N5 O S2 -","- C14 H11 N5 O S2 -","- C56 H44 N20 O4 S8 -","4","1","TK5386","Vaarla, Krishnaiah; Rao, V. Rajeswar; Akkurt, Mehmet","Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o809","10","10.1107/S2056989015017351","","","0.71073","MoKα","","0.0344","0.0312","","","0.0753","0.0771","","","","","","1.079","","","","has coordinates","245780","2020-10-21","18:00:00",""
"2311308","5.5215","0.0003","16.1299","0.0008","18.7112","0.0009","90","","93.98","0.005","90","","1662.42","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (2<i>Z</i>)-2-[(2<i>Z</i>)-2-(2-cyclopentylidenehydrazin-1-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C68 H68 N12 O12 S4 -","4","1","TK5388","Akkurt, Mehmet; Smolenski, Victoria A.; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of methyl (2Z)-2-[(2Z)-2-(2-cyclo-pentyl-idenehydrazin-1-yl-idene)-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene]ethano-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o776","7","10.1107/S2056989015017454","","","0.71073","MoKα","","0.077","0.0504","","","0.1179","0.1347","","","","","","1.021","","","","has coordinates,has disorder","245781","2020-10-21","18:00:00",""
"2311309","10.9366","0.0006","11.7386","0.0005","12.6262","0.0008","100.018","0.004","113.884","0.006","105.884","0.004","1348.75","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraethyl 27,30-dioxo-7,12,20,25-tetra-<i>tert</i>-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.1^1,5^.1^4,8^.1^10,14^.1^14,18^.1^17,21^]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate","","- C54 H64 O12 S4 -","- C54 H64 O12 S4 -","- C54 H64 O12 S4 -","1","0.5","IS5424","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Omran, Omran A.; Albayati, Mustafa R.","Crystal structure of tetra-ethyl 27,30-dioxo-7,12,20,25-tetra-tert-but-yl-3,16-dioxa-9,22,28,31-tetra-thia-hepta-cyclo-[21.3.1.1(1,5).1(4,8).1(10,14).1(14,18).1(17,21)]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-deca-ene-2,2,15,15-tetra-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o778","9","10.1107/S205698901501748X","","","0.71073","MoKα","","0.0942","0.0643","","","0.1501","0.1687","","","","","","1.07","","","","has coordinates","245782","2020-10-21","18:00:00",""
"2311310","6.716","0.004","6.809","0.004","29.425","0.017","90","","94.784","0.007","90","","1340.9","1.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Methyl-4-oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-3-carboxamide","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","MoKα","","0.0738","0.056","","","0.1256","0.1325","","","","","","1.071","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311311","7.43","0.003","11.963","0.006","12.648","0.006","90","","90","","90","","1124.2","0.9","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(Pyrrolidine-1-carbonyl)-4<i>H</i>-chromen-4-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","MoKα","","0.0735","0.0686","","","0.1483","0.1521","","","","","","1.07","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311312","15.337","0.006","21.94","0.008","6.808","0.003","90","","90","","90","","2290.8","1.6","100","2","100","","","","","","","","","4","A e a 2","A 2 -2ab","41","","2-(Pyrrolidine-1-carbonyl)-4<i>H</i>-chromen-4-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","Mokα","","0.0555","0.0477","","","0.0978","0.102","","","","","","1.112","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311313","11.213","0.013","14.231","0.017","9.582","0.015","90","","116.76","0.03","90","","1365","3","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","2-Amino-<i>N</i>-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","","- C15 H15 F N2 O S -","- C15 H15 F N2 O S -","- C60 H60 F4 N8 O4 S4 -","4","1","HB7493","Chandra Kumar, K.; Umesh, V.; Madhura, T. K.; Rajesh, B. M.; Chandra, ?","Crystal structure of 2-amino-N-(2-fluoro-phen-yl)-4,5,6,7-tetra-hydro-1-benzo-thio-phene-3-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o807","8","10.1107/S2056989015018022","","","0.71073","MoKα","","0.0426","0.0379","","","0.0795","0.0806","","","","","","1.836","","","","has coordinates","245784","2020-10-21","18:00:00",""
"2311314","13.143","0.002","8.013","0.002","17.88","0.002","90","","96.129","0.014","90","","1872.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidine-7-carboxylate","","- C21 H19 N3 O3 S -","- C21 H19 N3 O3 S -","- C84 H76 N12 O12 S4 -","4","1","TK5390","Akkurt, Mehmet; Smolenski, Victoria A.; Mohamed, Shaaban K.; Jasinski, Jerry P.; Ahmed, Essam K.; Albayati, Mustafa R.","Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yl-oxy)-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o836","7","10.1107/S2056989015018447","","","0.71073","MoKα","","0.0642","0.0435","","","0.1021","0.1165","","","","","","1.037","","","","has coordinates","245785","2020-10-21","18:00:00",""
"2311315","19.4338","0.0006","14.2147","0.0003","20.8631","0.0006","90","","103.184","0.003","90","","5611.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","25-Benzoylmethoxy-5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxy-2,8,14,20-tetrathiacalix[4]arene‒tetraethylammonium chloride (1/1)","","- C56 H74 Cl N O5 S4 -","- C56 H74 Cl N O5 S4 -","- C224 H296 Cl4 N4 O20 S16 -","4","2","XU5871","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Omran, Omran A.; Albayati, Mustafa R.","Crystal structure of the inclusion complex 25-benzo-ylmeth-oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy-droxy-2,8,14,20-tetra-thia-calix[4]arene-tetra-ethyl-ammonium chloride (1/1).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o830","1","10.1107/S2056989015018617","","","0.71073","MoKα","","0.1189","0.0789","","","0.2023","0.241","","","","","","1.05","","","","has coordinates","245786","2020-10-21","18:00:00",""
"2311316","13.3298","0.0015","7.1509","0.0008","14.5703","0.0017","90","","109.854","0.004","90","","1306.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(2-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C13 H13 F N2 O2 S -","- C13 H13 F N2 O2 S -","- C52 H52 F4 N8 O8 S4 -","4","1","TK5392","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of methyl 4-(2-fluoro-phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra-hydro-pyrimidine-5-carb-oxy-late.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o838","9","10.1107/S2056989015018873","","","0.71073","MoKα","","0.1331","0.0637","","","0.1175","0.1325","","","","","","0.946","","","","has coordinates","245787","2020-10-21","18:00:00",""
"2311317","7.6954","0.0005","8.1799","0.0005","13.9626","0.0009","95.928","0.002","103.685","0.002","90.137","0.002","849.07","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methyl-thiophene-3-carboxylate","","- C16 H23 N3 O3 S -","- C16 H23 N3 O3 S -","- C32 H46 N6 O6 S2 -","2","1","HB7489","Krishnamurthy, M. S.; Prasad, N. L.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-[3-(di-methyl-amino)-acrylo-yl]-2-{[(di-methyl-amino)-methyl-idene]-amino}-4-methylthio-phene-3-carb-oxy-late.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o908","9","10.1107/S2056989015018885","","","0.71073","MoKα","","0.0382","0.0321","","","0.0855","0.0886","","","","","","1.022","","","","has coordinates","245788","2020-10-21","18:00:00",""
"2311318","13.3039","0.0012","6.5892","0.0006","9.3753","0.0008","90","","92.419","0.001","90","","821.13","0.13","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2-Cyano-1-methylpyridinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C28 H28 Br4 N8 -","4","0.5","HB7523","Nguyen, Vu D.; McCormick, Cameron A.; Pascal, Jr, Robert A; Mague, Joel T.; Koplitz, Lynn V.","Crystal structure of 2-cyano-1-methyl-pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o854","5","10.1107/S2056989015019167","","","0.71073","MoKα","","0.0258","0.0225","","","0.0473","0.0481","","","","","","1.022","","","","has coordinates","245789","2020-10-21","18:00:00",""
"2311319","6.8118","0.0009","13.6726","0.0018","15.909","0.002","90","","90","","90","","1481.7","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Ethoxy-3-(4-nitrophenyl)-2<i>H</i>-chromen-2-one","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","SU5224","Walki, Shashikanth; Naveen, S.; Kenchanna, S.; Mahadevan, K. M.; Kumara, M. N.; Lokanath, N. K.","Crystal structure of 8-eth-oxy-3-(4-nitro-phen-yl)-2H-chromen-2-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o860","1","10.1107/S2056989015019325","","","1.54178","CuKα","","0.047","0.045","","","0.1276","0.1311","","","","","","1.028","","","","has coordinates","245790","2020-10-21","18:00:00",""
"2311320","10.9754","0.0002","12.9877","0.0002","8.9544","0.0002","90","","96.546","0.002","90","","1268.09","0.04","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CmoM","2-Methylphenyl <i>N</i>-(pyridin-3-yl)carbamate monohydrate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","LH5787","Mocilac, Pavle; Gallagher, John F.","Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo-phenyl N-(pyridin-3-yl)carbamate monohydrates.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1366","1370","10.1107/S2056989015019556","","","0.71073","MoKα","","0.068","0.0489","","","0.1224","0.1359","","","","","","1.031","","","","has coordinates","245791","2020-10-21","18:00:00",""
"2311321","10.9036","0.0004","13.0518","0.0003","8.9804","0.0003","90","","96.46","0.003","90","","1269.9","0.07","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CmoBr","2-Bromophenyl <i>N</i>-(pyridin-3-yl)carbamate monohydrate","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C48 H44 Br4 N8 O12 -","4","1","LH5787","Mocilac, Pavle; Gallagher, John F.","Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo-phenyl N-(pyridin-3-yl)carbamate monohydrates.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1366","1370","10.1107/S2056989015019556","","","0.71073","MoKα","","0.0798","0.0463","","","0.0922","0.1058","","","","","","1.032","","","","has coordinates","245791","2020-10-21","18:00:00",""
"2311322","8.198","0.0001","10.029","0.0002","16.772","0.0003","90","","90","","90","","1378.96","0.04","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-Dihydroxy-3-hydroxymethyl-9-methyl-6-methylidene-3a,4,5,6,6a,9,9a,9b-octahydroazuleno[4,5-<i>b</i>]furan-2,8(3<i>H</i>,7<i>H</i>)-dione","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","RZ5172","Çelik, Ísmail; Akkurt, Mehmet; Akşit, Hüseyin; Erenler, Ramazan; García-Granda, Santiago","Crystal structure and computational study of 3,4-dihy-droxy-3-hy-droxy-methyl-9-methyl-6-methyl-idene-3a,4,5,6,6a,9,9a,9b-octa-hydro-azuleno[4,5-b]furan-2,8(3H,7H)-dione.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","1425","1428","10.1107/S2056989015019623","","","1.54184","CuKα","","0.0375","0.035","","","0.0929","0.0961","","","","","","1.053","","","","has coordinates","245792","2020-10-21","18:00:00",""
"2311323","16.0126","0.0007","7.4316","0.0003","16.1654","0.0009","90","","94.607","0.004","90","","1917.46","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(9<i>H</i>-Carbazol-9-yl)-<i>N</i>'-[(<i>E</i>)-4-chlorobenzylidene]propanohydrazide","","- C22 H18 Cl N3 O -","- C22 H18 Cl N3 O -","- C88 H72 Cl4 N12 O4 -","4","1","QM2112","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; El-Emary, Talaat I; Albayati, Mustafa R.","Crystal structure of 3-(9H-carbazol-9-yl)-N'-[(E)-4-chloro-benzyl-idene]propano-hydrazide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o937","8","10.1107/S2056989015020770","","","0.71073","MoKα","","0.1272","0.0575","","","0.1291","0.1669","","","","","","1.019","","","","has coordinates","245793","2020-10-21","18:00:00",""
"2311324","9.0124","0.0002","9.0124","0.0002","12.82","0.0002","90","","90","","90","","1041.28","0.04","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","1-(Cyclopentylideneamino)-3-(prop-2-en-1-yl)thiourea","","- C9 H15 N3 S -","- C9 H15 N3 S -","- C36 H60 N12 S4 -","4","1","HB7535","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Abdel-Aziz, Ahmed T; Albayati, Mustafa R.","Crystal structure of 1-(cyclo-pentyl-idene-amino)-3-(prop-2-en-1-yl)thio-urea.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o924","5","10.1107/S2056989015021003","","","1.54178","CuKα","","0.0432","0.0412","","","0.1074","0.1092","","","","","","1.1","","","","has coordinates","245794","2020-10-21","18:00:00",""
"2311325","8.7759","0.0003","10.6399","0.0003","20.7929","0.0007","90","","93.842","0.003","90","","1937.17","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C23 H20 Cl N3 O -","- C23 H20 Cl N3 O -","- C92 H80 Cl4 N12 O4 -","4","1","TK5407","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Allah, Omyma A A Abd; Albayati, Mustafa R.","Crystal structure of 2-amino-4-(4-chloro-phen-yl)-1-(4-methyl-phen-yl)-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o949","50","10.1107/S2056989015021313","","","0.71073","MoKα","","0.0739","0.0528","","","0.1273","0.1436","","","","","","1.044","","","","has coordinates","245795","2020-10-21","18:00:00",""
"2311326","10.8056","0.0008","14.7141","0.0012","23.0408","0.0018","90","","96.181","0.001","90","","3642.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dimethylanilino)-<i>N</i>'-[(1<i>E</i>)-2-hydroxybenzylidene]benzohydrazide","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C176 H168 N24 O16 -","8","2","BG2574","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.","Crystal structure of 2-(2,3-di-methyl-anilino)-N'-[(1E)-2-hy-droxy-benzyl-idene]benzohydrazide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o957","8","10.1107/S2056989015021532","","","0.71073","MoKα","","0.0743","0.047","","","0.1198","0.1327","","","","","","1.057","","","","has coordinates","245796","2020-10-21","18:00:00",""
"2311327","19.4735","0.0007","8.9773","0.0004","20.3414","0.0008","90","","91.619","0.003","90","","3554.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[9-(2-Hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C168 H168 N8 O40 -","8","2","HB7542","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Allah, Omyma A Abd; Tamam, Asmaa H. A.; Albayati, Mustafa R.","Crystal structure of 2-[9-(2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetic acid.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o963","4","10.1107/S2056989015021611","","","0.71073","MoKα","","0.1444","0.0788","","","0.1882","0.2289","","","","","","1.014","","","","has coordinates","245797","2020-10-21","18:00:00",""
"2311328","8.8287","0.0003","14.2531","0.0005","33.1222","0.0011","90","","90","","90","","4168","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C23 H24 Br N O5 -","- C23 H24 Br N O5 -","- C184 H192 Br8 N8 O40 -","8","1","WM5239","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Abdelhamid, Antar A.; Tamam, Asmaa H.; Albayati, Mustafa R.","Crystal structure of ethyl 2-[9-(5-bromo-2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o989","90","10.1107/S2056989015022240","","","0.71073","MoKα","","0.096","0.0589","","","0.1333","0.1529","","","","","","1.016","","","","has coordinates","245798","2020-10-21","18:00:00",""
"2311329","9.3296","0.0008","10.8407","0.0008","11.3906","0.0009","103.231","0.009","111.888","0.009","104.123","0.009","968.99","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(2,6-dimethylpyrazine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2,5-dimethylpyrazine trisolvate","","- C32 H44 Co N12 O2 S2 -","- C32 H44 Co N12 O2 S2 -","- C32 H44 Co N12 O2 S2 -","1","0.5","WM5255","Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian","Crystal structure of di-aqua-bis-(2,6-di-methyl-pyrazine-κN)bis-(thio-cyanato-κN)cobalt(II) 2,5-di-methyl-pyrazine tris-olvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","m269","70","10.1107/S2056989015024184","","","0.71073","MoKα","","0.055","0.0469","","","0.1236","0.1298","","","","","","1.052","","","","has coordinates","245799","2020-10-21","18:00:00",""