# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T16:23:07+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, Structure reports online') AND volume = 69 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
"2311115","16.2444","0.0006","21.17","0.0006","7.2399","0.0002","90","","90","","90","","2489.76","0.13","103","","103","","","","","","","","","3","I b a 2","I 2 -2c","45","","5-(Prop-2-yn-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepine","","- C17 H13 N -","- C17 H13 N -","- C136 H104 N8 -","8","1","HB6998","Abdoh, M. M. M.; Madan Kumar, S.; Vinay Kumar, K. S.; Manjunath, B. C.; Sadashiva, M. P.; Lokanath, N. K.","5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: ortho-rhom-bic polymorph.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o17","","10.1107/S1600536812048908","","","0.71073","MoKα","","0.0283","0.0258","","","0.0658","0.0674","","","","","","1.088","","","","has coordinates","245587","2020-10-21","18:00:00",""
"2311116","8.1941","0.0006","9.5983","0.0014","10.3193","0.0018","64.637","0.016","80.356","0.01","83.61","0.009","722.3","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","benzimidazole","2-(1-Phenyl-1<i>H</i>-benzimidazol-2-yl)phenol","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","1","TK5179","Thiruvalluvar, A.; Rosepriya, S.; Jayamoorthy, K.; Jayabharathi, J.; Oztürk Yildirim, Sema; Butcher, R. J.","2-(1-Phenyl-1H-benzimidazol-2-yl)phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o62","","10.1107/S1600536812049859","","","1.54184","CuKα","","0.0664","0.0589","","","0.162","0.171","","","","","","1.037","","","","has coordinates","245588","2020-10-21","18:00:00",""
"2311117","11.79596","0.00009","9.17559","0.00007","16.75788","0.00013","90","","92.2372","0.0007","90","","1812.4","0.02","123","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-[3-(Dimethylamino)propyl]-10,10-dimethyl-9,10-dihydroanthracen-9-ol","","- C21 H27 N O -","- C21 H27 N O -","- C84 H108 N4 O4 -","4","2","HB7006","Kaur, Manpreet; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Nagaraj, B.","9-[3-(Dimethyl-amino)-prop-yl]-10,10-dimethyl-9,10-dihydro-anthracen-9-ol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o175","","10.1107/S1600536812050088","","","1.54184","CuKα","","0.0337","0.0335","","","0.0909","0.0911","","","","","","1.057","","","","has coordinates","245589","2020-10-21","18:00:00",""
"2311118","8.81","0.002","13.809","0.003","15.797","0.004","90","","100.026","0.004","90","","1892.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-(3-Bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C21 H21 Br Cl N O4 -","- C21 H21 Br Cl N O4 -","- C84 H84 Br4 Cl4 N4 O16 -","4","1","HG5278","Mohamed, Shaaban K.; Akkurt, Mehmet; Horton, Peter N.; Abdelhamid, Antar A.; Remaily, Mahmoud A A El","9-(3-Bromo-5-chloro-2-hy-droxy-phen-yl)-10-(2-hy-droxy-eth-yl)-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o85","6","10.1107/S1600536812050222","","","0.71075","MoKα","","0.0293","0.0282","","","0.0758","0.0767","","","","","","1.026","","","","has coordinates","245590","2020-10-21","18:00:00",""
"2311119","18.9837","0.001","4.74","0.002","16.105","0.008","90","","92.927","0.009","90","","1447.3","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{(<i>Z</i>)-[3-(1-Hydroxyethyl)anilino]methylidene}naphthalen- 2(1<i>H</i>)-one","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","SU2542","Horton, Peter N.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Marzouk, Adel A.","1-{(Z)-[3-(1-Hy-droxy-eth-yl)anilino]methyl-idene}naphthalen-2(1H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o106","","10.1107/S1600536812050635","","","0.71075","MoKα","","0.0716","0.0653","","","0.1687","0.1745","","","","","","1.064","","","","has coordinates,has disorder","245591","2020-10-21","18:00:00",""
"2311120","4.5082","0.0009","19.815","0.004","13.853","0.003","90","","95.484","0.005","90","","1231.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-[(<i>E</i>)-(2-fluoro-5-nitrophenyl)iminomethyl]phenol","","- C13 H8 Br F N2 O3 -","- C13 H8 Br F N2 O3 -","- C52 H32 Br4 F4 N8 O12 -","4","1","XU5665","Mohamed, Shaaban K.; Akkurt, Mehmet; Horton, Peter N.; Abdelhamid, Antar A.; Marzouk, Adel A.","4-Bromo-2-[(E)-(2-fluoro-5-nitro-phenyl)iminometh-yl]phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o107","","10.1107/S1600536812050696","","","0.71075","MoKα","","0.0273","0.0251","","","0.0576","0.0586","","","","","","1.049","","","","has coordinates","245592","2020-10-21","18:00:00",""
"2311121","23.452","0.016","5.809","0.004","8.739","0.006","90","","96.445","0.007","90","","1183","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{(<i>Z</i>)-[(2,3-Dihydroxypropyl)amino]methylidene}naphthalen- 2(1<i>H</i>)-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","LH5572","Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Remaily, Mahmoud A A El","1-{(Z)-[(2,3-Dihy-droxy-prop-yl)amino]-methyl-idene}naphthalen-2(1H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o136","7","10.1107/S1600536812051070","","","0.71075","MoKα","","0.0637","0.0579","","","0.1521","0.1563","","","","","","1.113","","","","has coordinates,has disorder","245593","2020-10-21","18:00:00",""
"2311122","6.3925","0.0003","7.988","0.0004","13.8629","0.0008","83.151","0.005","81.649","0.004","78.921","0.004","684.28","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","carbazole","(<i>E</i>)-2-[(Furan-2-yl)methylidene]-7-methyl-2,3,4,9- tetrahydro-1<i>H</i>-carbazol-1-one","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","TK5183","Thiruvalluvar, A.; Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Butcher, R. J.; Gupta, Sushil K.; Oztürk Yildirim, Sema","(E)-2-[(Furan-2-yl)methyl-idene]-7-methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o150","","10.1107/S1600536812051203","","","1.54184","CuKα","","0.0527","0.0467","","","0.1252","0.1323","","","","","","1.054","","","","has coordinates","245594","2020-10-21","18:00:00",""
"2311123","18.0823","0.0013","6.4623","0.0004","15.1892","0.0011","90","","100.821","0.006","90","","1743.3","0.2","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-({4-[(2-Methylbenzylidene)amino]-5-sulfanylidene-1<i>H</i>- 1,2,4-triazol-3-yl}methyl)-1,3-benzoxazol-2(3<i>H</i>)-one","","- C18 H15 N5 O2 S -","- C18 H15 N5 O2 S -","- C72 H60 N20 O8 S4 -","4","1","CV5375","Aydın, Abdullah; Hekimoğlu, Nuray; Akkurt, Mehmet; Onkol, Tijen; Ciçekli, Sölen Urlu; Büyükgüngör, Orhan","3-({4-[(2-Methyl-benzyl-idene)amino]-5-sulfanyl-idene-1H-1,2,4-triazol-3-yl}meth-yl)-1,3-benzoxazol-2(3H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o169","70","10.1107/S1600536812051458","","","0.71073","MoKα","","0.06","0.0419","","","0.1023","0.1098","","","","","","1.031","","","","has coordinates","245595","2020-10-21","18:00:00",""
"2311124","8.227","0.004","13.505","0.007","16.044","0.008","87.451","0.008","78.869","0.009","80.241","0.009","1723.6","1.5","300","","300","","","","","","","","","4","P -1","-P 1","2","","4-[Amino(3-methylphenyl)methylidene]-2-(3-methylphenyl)-1<i>H</i>-imidazol- 5(4<i>H</i>)-one ethanol hemisolvate","","- C19 H20 N3 O1.5 -","- C19 H20 N3 O1.5 -","- C76 H80 N12 O6 -","4","2","HB7015","Prabhuswamy, M.; Madan Kumar, S.; Muneer, C. P.; Shafi, P. M.; Lokanath, N. K.","4-[Amino-(3-methyl-phen-yl)methyl-idene]-2-(3-methyl-phen-yl)-1H-imidazol-5(4H)-one ethanol hemisolvate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o174","","10.1107/S160053681205163X","","","0.71073","MoKα","","0.1002","0.0704","","","0.1976","0.2268","","","","","","1.022","","","","has coordinates","245596","2020-10-21","18:00:00",""
"2311125","33.088","0.008","12.732","0.003","8.711","0.0018","90","","97.896","0.009","90","","3634.9","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl <i>N</i>-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate","","- C19 H17 N O5 -","- C19.002 H17.005 N O5 -","- C152.016 H136.04 N8 O40 -","8","1","HB7023","Akkurt, Mehmet; Sarıoğlu, Ahmet Oral; Sönmez, Mehmet; Tahir, Muhammad Nawaz","Ethyl N-(2-benzoyl-3-oxo-3-phenyl-propano-yl)carbamate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o220","","10.1107/S1600536813000445","","","0.71073","MoKα","","0.1108","0.0487","","","0.1043","0.1318","","","","","","1.009","","","","has coordinates,has disorder","245597","2020-10-21","18:00:00",""
"2311126","5.5885","0.0011","8.3929","0.0018","42.069","0.009","90","","92.149","0.01","90","","1971.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1-Methylethyl)-<i>N</i>-((<i>E</i>)-4-{[1-(prop-2-en-1-yl)-1<i>H</i>- 1,2,3-triazol-4-yl]methoxy}benzylidene)aniline","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C88 H96 N16 O4 -","4","1","BQ2382","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Tahir, Muhammad Nawaz","4-(1-Methyl-eth-yl)-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)aniline.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o247","","10.1107/S1600536813000755","","","0.71073","MoKα","","0.2129","0.0684","","","0.1522","0.2166","","","","","","0.963","","","","has coordinates,has disorder","245598","2020-10-21","18:00:00",""
"2311127","4.8387","0.0002","9.2913","0.0004","20.0273","0.0008","90","","90.171","0.001","90","","900.38","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Glycine‒<i>D</i>-tartaric acid (1/1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","BV2215","Mohandas, T.; Inbaseelan, C. Ranjith Dev; Saravanan, S.; Sakthivel, P.","Glycine-d-tartaric acid (1/1).","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o236","","10.1107/S1600536813000822","","","0.71073","MoKα","","0.046","0.0371","","","0.1052","0.1116","","","","","","1.065","","","","has coordinates","245599","2020-10-21","18:00:00",""
"2311128","8.7179","0.0004","9.6796","0.0005","11.3612","0.0006","67.654","0.002","68.123","0.002","85.013","0.002","821.2","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Phenyl-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole","","- C20 H13 F3 N2 -","- C20 H13 F3 N2 -","- C40 H26 F6 N4 -","2","1","BV2218","Jayamoorthy, K.; Mohandas, T.; Sakthivel, P.; Jayabharathi, J.","1-Phenyl-2-[4-(trifluoro-meth-yl)phen-yl]-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o244","","10.1107/S1600536813000834","","","0.71073","MoKα","","0.0488","0.0377","","","0.0936","0.1048","","","","","","1.031","","","","has coordinates,has disorder","245600","2020-10-21","18:00:00",""
"2311129","14.476","0.006","9.312","0.004","9.835","0.004","90","","108.192","0.008","90","","1259.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(Trifluoromethoxy)phenyl]-1<i>H</i>-benzimidazole","","- C14 H9 F3 N2 O -","- C14 H9 F3 N2 O -","- C56 H36 F12 N8 O4 -","4","1","GK2550","Fathima, Nikhath; Krishnamurthy, M. S.; Begum, Noor Shahina","2-[4-(Trifluoro-meth-oxy)phen-yl]-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o264","","10.1107/S1600536813001220","","","0.71073","MoKα","","0.1164","0.0642","","","0.1307","0.1574","","","","","","0.996","","","","has coordinates,has disorder","245601","2020-10-21","18:00:00",""
"2311130","16.362","0.005","14.476","0.005","9.543","0.005","90","","91.51","0.005","90","","2259.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)nickel(II) dihydrate","","- C20 H28 N2 Ni O6 -","- C20 H28 N2 Ni O6 -","- C80 H112 N8 Ni4 O24 -","4","1","KJ2219","Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed","Bis(acetyl-acetonato-κ(2)O,O')bis-(pyridine-κN)nickel(II) dihydrate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","m131","","10.1107/S1600536813002699","","","0.71073","MoKα","","0.0479","0.0342","","","0.0903","0.1027","","","","","","1.046","","","","has coordinates","245602","2020-10-21","18:00:00",""
"2311131","8.568","0.0002","10.607","0.0003","23.69","0.0006","90","","93.899","0.001","90","","2147.98","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C29 H21 F N2 -","- C29 H21 F N2 -","- C116 H84 F4 N8 -","4","1","RK2393","Sathishkumar, R.; Mohandas, T.; Sakthivel, P.; Jayabharathi, J.","1-(3,5-Dimethyl-phen-yl)-2-(4-fluoro-phen-yl)-1H-phenanthro[9,10-d]imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o367","","10.1107/S1600536813003486","","","0.71073","MoKα","","0.054","0.0387","","","0.0969","0.1091","","","","","","1.024","","","","has coordinates","245603","2020-10-21","18:00:00",""
"2311132","9.643","0.0003","9.898","0.0003","12.307","0.0004","77.432","0.001","71.621","0.001","73.158","0.001","1056.57","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C28 H19 F N2 O -","- C28 H19 F N2 O -","- C56 H38 F2 N4 O2 -","2","1","PV2618","Mohandas, T.; Sathishkumar, R.; Sakthivel, P.; Jayabharathi, J.","2-(4-Fluoro-phen-yl)-1-(4-meth-oxy-phen-yl)-1H-phenanthro[9,10-d]imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o368","","10.1107/S1600536813003504","","","0.71073","MoKα","","0.0422","0.0349","","","0.0886","0.0977","","","","","","1.031","","","","has coordinates","245604","2020-10-21","18:00:00",""
"2311133","6.4147","0.0002","14.6321","0.0006","11.9911","0.0005","90","","97.22","0.002","90","","1116.57","0.07","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","HB7037","Chandra, ?; Raghu, K.; Srikantamurthy, N.; Umesha, K. B.; Palani, K.; Mahendra, M.","3-(4-Meth-oxy-phen-yl)-5-methylisoxazole-4-carb-oxy-lic acid.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o388","","10.1107/S1600536813004029","","","0.71073","MoKα","","0.0626","0.0448","","","0.1105","0.125","","","","","","1.037","","","","has coordinates","245605","2020-10-21","18:00:00",""
"2311134","14.357","0.0004","13.282","0.0004","10.738","0.0003","90","","108.212","0.001","90","","1945.05","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[2-(4-Methoxyphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]ethanol","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","SU2561","Mohamed, Shaaban Kamel; Akkurt, Mehmet; Marzouk, Adel A.; Abbasov, Vagif M.; Gurbanov, Atash V.","2-[2-(4-Meth-oxy-phen-yl)-4,5-diphenyl-1H-imidazol-1-yl]ethanol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o474","5","10.1107/S1600536813004285","","","0.71073","MoKα","","0.0564","0.0427","","","0.1048","0.11","","","","","","1.041","","","","has coordinates,has disorder","245606","2020-10-21","18:00:00",""
"2311135","9.4059","0.0008","6.5009","0.0005","12.4919","0.001","90","","105.914","0.009","90","","734.57","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Amino-1-phenyl-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","TK5198","Akkurt, Mehmet; Kennedy, Alan R.; Mohamed, Shaaban Kamel; Younes, Sabry H. H.; Miller, Gary J.","3-Amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o401","","10.1107/S1600536813004376","","","0.71073","MoKα","","0.0504","0.0421","","","0.0847","0.0907","","","","","","1.058","","","","has coordinates","245607","2020-10-21","18:00:00",""
"2311136","18.6093","0.0019","11.5447","0.0013","12.1216","0.0013","90","","95.625","0.004","90","","2591.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-4,4'-bipyridyl)cobalt(II)] dinitrate tetrahydrate]","","- C20 H28 Co N6 O12 -","- C20 H28 Co N6 O12 -","- C80 H112 Co4 N24 O48 -","4","0.5","HB7035","Lehleh, Asma; Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed; Merazig, Hocine","Poly[[diaqua-bis-(μ2-4,4'-bipyrid-yl)cobalt(II)] dinitrate tetra-hydrate].","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","m177","8","10.1107/S1600536813005230","","","0.71073","MoKα","","0.0327","0.0297","","","0.0802","0.0828","","","","","","1.053","","","","has coordinates","245608","2020-10-21","18:00:00",""
"2311137","9.4259","0.0007","10.2028","0.0007","44.721","0.003","94.711","0.002","94.096","0.002","107.359","0.002","4070.2","0.5","90","0.5","90","0.5","","","","","","","","3","P -1","-P 1","2","","4-(1-Allyl-4,5-diphenyl-1<i>H</i>-imidazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C26 H25 N3 -","- C26 H25 N3 -","- C208 H200 N24 -","8","4","SJ5302","Akkurt, Mehmet; Fronczek, Frank R.; Mohamed, Shaaban K.; Talybov, Avtandil H.; Marzouk, Adel A. E.; Abdelhamid, Antar A.","4-(1-Allyl-4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethyl-aniline.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o527","8","10.1107/S1600536813006326","","","1.54184","CuKα","","0.0441","0.0432","","","0.1169","0.1179","","","","","","1.027","","","","has coordinates","245609","2020-10-21","18:00:00",""
"2311138","8.2662","0.0008","9.6378","0.001","11.6224","0.0013","99.927","0.005","93.7","0.005","101.178","0.005","890.16","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Bromo-2-(diethoxymethyl)phenyl benzoate","","- C18 H19 Br O4 -","- C18 H19 Br O4 -","- C36 H38 Br2 O8 -","2","1","BT6892","Sharmila, P.; Suresh Kumar, C.; Maheshwaran, S.; Narasimhan, S.; Aravindhan, S.","4-Bromo-2-(dieth-oxy-meth-yl)phenyl benzoate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o553","","10.1107/S1600536813006351","","","0.71073","MoKα","","0.0615","0.0336","","","0.0762","0.085","","","","","","1.01","","","","has coordinates","245610","2020-10-21","18:00:00",""
"2311139","6.172","0.0002","7.5616","0.0003","9.9216","0.0004","100.562","0.003","99.821","0.003","102.279","0.004","434.07","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Aminomethylpyrimidiniumphosphate","2-Amino-4-methylpyrimidinium dihydrogen phosphate","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C10 H20 N6 O8 P2 -","2","1","DS2227","Thomas, Sajesh P.; Sunkari, Jyothi","2-Amino-4-methyl-pyrimidinium dihydrogen phosphate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o529","","10.1107/S160053681300648X","","","0.71073","MoKα","","0.034","0.0305","","","0.0865","0.0879","","","","","","1.078","","","","has coordinates","245611","2020-10-21","18:00:00",""
"2311140","21.069","0.018","6.063","0.005","18.727","0.016","90","","107.159","0.013","90","","2286","3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4^1^-(1,2,4-Oxadiazole-3,5-diyl)bis(4,1-phenylene) dibenzoate","4-[5-(4-Benzoyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl benzoate","","- C28 H18 N2 O5 -","- C28 H18 N2 O5 -","- C112 H72 N8 O20 -","4","1","SJ5303","Manjunath, B. C.; Madan Kumar, S.; Vinay Kumar, K. S.; Prabhuswamy, M.; Sadashiva, M. P.; Lokanath, N. K.","4-[5-(4-Benzoyl-oxyphen-yl)-1,2,4-oxa-diazol-3-yl]phenyl benzoate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o543","","10.1107/S1600536813006922","","","0.71073","MoKα","","0.127","0.0678","","","0.1595","0.1905","","","","","","1.033","","","","has coordinates","245612","2020-10-21","18:00:00",""
"2311141","13.442","0.0018","8.0015","0.001","14.2416","0.0018","90","","90","","90","","1531.8","0.3","130","2","130","2","","","","","","","","3","P n a 21","P 2c -2n","33","","9-(2-Hydroxy-6-oxocyclohex-1-en-1-yl)-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","NK2202","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Saeed, Aamer; Flörke, Ulrich","9-(2-Hy-droxy-6-oxocyclo-hex-1-en-1-yl)-2,3,4,9-tetra-hydro-1H-xanthen-1-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o616","7","10.1107/S1600536813007952","","","0.71073","MoKα","","0.0458","0.0433","","","0.1088","0.111","","","","","","1.057","","","","has coordinates","245613","2020-10-21","18:00:00",""
"2311142","10.2741","0.0006","10.28","0.0006","15.8581","0.0008","90","","102.073","0.005","90","","1637.85","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","14-Bromo-12-chloro-2,16-dioxapentacyclo[7.7.5.0^1,21^.0^3,8^.0^10,15^]henicosa-3(8),10,12,14-tetraene-7,20-dione","","- C19 H16 Br Cl O4 -","- C19 H16 Br Cl O4 -","- C76 H64 Br4 Cl4 O16 -","4","1","HB7072","Kennedy, Alan R.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Marzouk, Adel A. E.","14-Bromo-12-chloro-2,16-dioxa-penta-cyclo-[7.7.5.0(1,21).0(3,8).0(10,15)]henicosa-3(8),10,12,14-tetra-ene-7,20-dione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 5","o769","70","10.1107/S1600536813010374","","","0.71073","MoKα","","0.0911","0.0581","","","0.119","0.1339","","","","","","1.044","","","","has coordinates","245614","2020-10-21","18:00:00",""
"2311143","12.0727","0.0006","7.5934","0.0003","16.8355","0.0008","90","","104.087","0.005","90","","1496.95","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","carbazole","7-Methyl-1-phenyl-1,10-dihydropyrazolo[3,4-<i>a</i>]carbazole","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","BG2506","Archana, R.; Yamuna, E.; Thiruvalluvar, A.; Rajendra Prasad, K. J.; Butcher, R. J.; Gupta, Sushil K.; Oztürk Yildirim, Sema","7-Methyl-1-phenyl-1,10-di-hydro-pyrazolo-[3,4-a]carbazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 5","o801","","10.1107/S1600536813010994","","","0.71073","MoKα","","0.0806","0.0514","","","0.0988","0.1152","","","","","","1.034","","","","has coordinates","245615","2020-10-21","18:00:00",""
"2311144","11.953","0.004","5.981","0.002","14.142","0.005","90","","105.548","0.006","90","","974","0.6","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methyl-3-phenylisoxazole-4-carboxylic acid","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","BG2504","Chandra, ?; Srikantamurthy, N.; Vishalakshi, G. J.; Jeyaseelan, S.; Umesha, K. B.; Mahendra, M.","5-Methyl-3-phenyl-isoxazole-4-carb-oxy-lic acid.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o897","","10.1107/S1600536813011410","","","0.71073","MoKα","","0.0416","0.0385","","","0.1069","0.1108","","","","","","1.046","","","","has coordinates","245616","2020-10-21","18:00:00",""
"2311145","20.172","0.006","15.947","0.005","14.5","0.005","90","","105.293","0.007","90","","4499","2","150","","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,6-Dichlorophenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C26 H24 Cl2 N2 -","- C26 H24 Cl2 N2 -","- C208 H192 Cl16 N16 -","8","2","SU2592","Akkurt, Mehmet; Mohamed, Shaaban K.; Singh, Kuldip; Marzouk, Adel A.; Abdelhamid, Antar A.","2-(2,6-Di-chloro-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o846","7","10.1107/S1600536813011446","","","0.71073","MoKα","","0.1067","0.054","","","0.0858","0.0981","","","","","","0.842","","","","has coordinates","245617","2020-10-21","18:00:00",""
"2311146","7.8659","0.0001","8.5151","0.0001","25.1137","0.0004","90","","98.133","0.002","90","","1665.17","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","carbazole","10-Methyl-2-oxo-4-phenyl-2,11-dihydropyrano[2,3-<i>a</i>]carbazole-3-carbonitrile","","- C23 H14 N2 O2 -","- C23 H14 N2 O2 -","- C92 H56 N8 O8 -","4","1","SJ5318","Thiruvalluvar, A.; Yamuna, E.; Archana, R.; Rajendra Prasad, K. J.; Butcher, R. J.","10-Methyl-2-oxo-4-phenyl-2,11-di-hydro-pyrano[2,3-a]carbazole-3-carbo-nitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o831","","10.1107/S1600536813011823","","","0.71073","MoKα","","0.0632","0.0531","","","0.1486","0.1542","","","","","","1.164","","","","has coordinates","245618","2020-10-21","18:00:00",""
"2311147","14.2226","0.0006","13.0856","0.0005","7.3801","0.0003","90","","94.151","0.004","90","","1369.92","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{(<i>E</i>)-[(2-Fluoro-5-nitrophenyl)imino]methyl}naphthalen-2-ol","","- C17 H11 F N2 O3 -","- C17 H11 F N2 O3 -","- C68 H44 F4 N8 O12 -","4","1","SJ5319","Kennedy, Alan R.; Akkurt, Mehmet; Abdelhamid, Antar A.; Mohamed, Shaaban K.; Miller, Gary J.","1-{(E)-[(2-Fluoro-5-nitro-phen-yl)imino]-meth-yl}naphthalen-2-ol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o850","1","10.1107/S1600536813012099","","","0.71073","MoKα","","0.0697","0.0523","","","0.1249","0.1349","","","","","","1.067","","","","has coordinates,has disorder","245619","2020-10-21","18:00:00",""
"2311148","7.6731","0.0008","8.4348","0.0009","10.5806","0.0012","80.6107","0.0018","75.8216","0.0019","63.3573","0.0016","592.31","0.11","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","6-[(2,4-Dimethylanilino)methylidene]-2-hydroxycyclohexa-2,4-dienone","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C30 H30 N2 O4 -","2","1","HB7078","Shujah, Shaukat; Ali, Saqib; Zia-Ur-Rehman, ?; Tahir, M. Nawaz; Meetsma, Auke","6-[(2,4-Di-methyl-anilino)methyl-idene]-2-hy-droxy-cyclo-hexa-2,4-dienone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o871","","10.1107/S1600536813012233","","","0.71073","MoKα","","0.0458","0.043","","","0.1189","0.1227","","","","","","1.089","","","","has coordinates","245620","2020-10-21","18:00:00",""
"2311149","10.0916","0.0007","13.1386","0.0009","15.6155","0.001","72.924","0.001","86.849","0.001","71.83","0.001","1879","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Chlorophenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","","- C24 H19 Cl N2 -","- C24 H19 Cl N2 -","- C96 H76 Cl4 N8 -","4","2","HG5314","Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A. E.; Santoyo-Gonzalez, Francisco; Elremaily, Mahmoud A. A.","2-(4-Chloro-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o875","6","10.1107/S1600536813012592","","","0.71073","MoKα","","0.046","0.0405","","","0.1017","0.1062","","","","","","1.066","","","","has coordinates","245621","2020-10-21","18:00:00",""
"2311150","7.7844","0.0018","11.251","0.002","22.039","0.006","90","","98.199","0.008","90","","1910.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Bromo-3,3-dibutyl-8-methoxy-2,3-dihydrobenzo[<i>b</i>][1,4]thiazepin-4(5<i>H</i>)-one","","- C18 H26 Br N O2 S -","- C18 H26 Br N O2 S -","- C72 H104 Br4 N4 O8 S4 -","4","1","HB7081","Deepu, C. V.; Manjula, M.; Pampa, K. J.; Bhadregowda, D. G.; Lokanath, N. K.","7-Bromo-3,3-dibutyl-8-meth-oxy-2,3-di-hydro-1,5-benzothia-zepin-4(5H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1129","","10.1107/S1600536813013238","","","0.71073","MoKα","","0.0966","0.0476","","","0.1216","0.1405","","","","","","1.031","","","","has coordinates","245622","2020-10-21","18:00:00",""
"2311151","10.409","0.005","10.054","0.005","18.428","0.005","90","","94.85","0.005","90","","1921.6","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine","","- C23 H22 Br N O -","- C23 H22 Br N O -","- C92 H88 Br4 N4 O4 -","4","1","RZ5059","Celik, Ismail; Akkurt, Mehmet; Gezegen, Hayreddin; Kazak, Canan","2-(4-Bromo-phen-yl)-4-(4-meth-oxy-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o956","","10.1107/S1600536813013913","","","0.71073","MoKα","","0.0799","0.0596","","","0.1097","0.1187","","","","","","1.117","","","","has coordinates","245623","2020-10-21","18:00:00",""
"2311152","10.362","0.003","8.938","0.002","19.387","0.005","90","","90.34","0.005","90","","1795.5","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,5-Triphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","ZP2005","Akkurt, Mehmet; Mohamed, Shaaban K.; Marzouk, Adel A. E.; Abbasov, V. M.; Santoyo-Gonzalez, Francisco","2,4,5-Triphenyl-1-(prop-2-en-1-yl)-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o988","9","10.1107/S1600536813014104","","","0.71073","MoKα","","0.0783","0.0619","","","0.1676","0.1825","","","","","","1.04","","","","has coordinates,has disorder","245624","2020-10-21","18:00:00",""
"2311153","9.75","0.008","14.589","0.013","9.397","0.008","90","","116.872","0.013","90","","1192.3","1.8","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-methyl-3-phenylisoxazole-4-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","NC2309","Chandra, ?; Raghu, K.; Jeyaseelan, S.; Umesha, K. B.; Mahendra, M.","Ethyl 5-methyl-3-phenyl-isoxazole-4-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o987","","10.1107/S160053681301427X","","","0.71073","MoKα","","0.083","0.0536","","","0.1595","0.1861","","","","","","0.989","","","","has coordinates","245625","2020-10-21","18:00:00",""
"2311154","15.228","0.004","15.215","0.004","17.641","0.004","90","","110.974","0.004","90","","3816.5","1.7","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(4,5-Diphenyl-1<i>H</i>-imidazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C23 H21 N3 -","- C23 H21 N3 -","- C184 H168 N24 -","8","2","ZS2260","Prabhuswamy, M.; Viveka, S.; Madan Kumar, S.; Nagaraja, G. K.; Lokanath, N. K.","4-(4,5-Diphenyl-1H-imidazol-2-yl)-N,N-di-methyl-aniline.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1006","","10.1107/S160053681301444X","","","0.71073","MoKα","","0.1301","0.07","","","0.1468","0.1745","","","","","","1.024","","","","has coordinates","245626","2020-10-21","18:00:00",""
"2311155","10.3311","0.0019","16.83","0.003","7.3374","0.0014","90","","97.518","0.003","90","","1264.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Bromomethyl-6-<i>tert</i>-butyl-2<i>H</i>-chromen-2-one","","- C14 H15 Br O2 -","- C14 H15 Br O2 -","- C56 H60 Br4 O8 -","4","1","GK2575","Nagarajaiah, H.; Puttaraju, K. B.; Shivashankar, K.; Begum, Noor Shahina","4-Bromo-methyl-6-tert-butyl-2H-chromen-2-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1056","","10.1107/S1600536813015511","","","0.71073","MoKα","","0.0606","0.0408","","","0.0949","0.1069","","","","","","1.051","","","","has coordinates","245627","2020-10-21","18:00:00",""
"2311156","23.2993","0.0014","10.9282","0.0005","22.3632","0.0011","90","","133.032","0.003","90","","4162.2","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[1-(4-Bromophenyl)-3-hydroxy-3-(4-methoxyphenyl)propyl]cyclohexanol","","- C22 H27 Br O3 -","- C22 H27 Br O3 -","- C176 H216 Br8 O24 -","8","1","SJ5331","Celik, Ismail; Akkurt, Mehmet; Gezegen, Hayreddin; Uremiş, Muhammed M; Duteanu, Narcis","2-[1-(4-Bromo-phen-yl)-3-hy-droxy-3-(4-meth-oxy-phen-yl)prop-yl]cyclo-hexa-nol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1091","2","10.1107/S1600536813015869","","","0.71073","MoKα","","0.1276","0.0676","","","0.1696","0.1984","","","","","","1.031","","","","has coordinates","245628","2020-10-21","18:00:00",""
"2311157","8.3117","0.0014","10.5217","0.0017","13.425","0.002","105.938","0.002","101.846","0.002","107.772","0.002","1020.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(2,5-Dimethoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","BX2444","Akkurt, Mehmet; Mohamed, Shaaban K.; Marzouk, Adel A.; Abdelhamid, Antar A.; Santoyo-Gonzalez, Francisco","2-(2,5-Di-meth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1098","9","10.1107/S1600536813015936","","","0.71073","MoKα","","0.0641","0.0469","","","0.1117","0.1248","","","","","","1.046","","","","has coordinates","245629","2020-10-21","18:00:00",""
"2311158","15.705","0.005","14.888","0.005","17.589","0.006","90","","105.151","0.004","90","","3970","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Prop-2-en-1-yl 4-(4,5-diphenyl-1<i>H</i>-imidazol-2-yl)benzoate","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C200 H160 N16 O16 -","8","2","HG5323","Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdelhamid, Antar A.; Santoyo-Gonzalez, Francisco","Prop-2-en-1-yl 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1105","6","10.1107/S160053681301619X","","","0.71073","MoKα","","0.0899","0.0576","","","0.1263","0.1485","","","","","","1.016","","","","has coordinates,has disorder","245630","2020-10-21","18:00:00",""
"2311159","8.984","0.004","6.056","0.003","15.248","0.006","90","","95.357","0.006","90","","826","0.6","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1,3-Benzodioxol-5-yl)-3-phenylquinazolin-4(3<i>H</i>)-one","","- C21 H14 N2 O3 -","- C21 H14 N2 O3 -","- C42 H28 N4 O6 -","2","1","FK2072","Chandra, ?; Raghavendra, G. M.; Jeyaseelan, S.; Mantelingu, K.; Mahendra, M.","2-(1,3-Benzodioxol-5-yl)-3-phenyl-quinazolin-4(3H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1113","","10.1107/S1600536813016346","","","0.71073","MoKα","","0.0497","0.0401","","","0.0947","0.1006","","","","","","1.042","","","","has coordinates","245631","2020-10-21","18:00:00",""
"2311160","5.2727","0.0005","9.7977","0.0009","15.238","0.0015","102.229","0.007","95.732","0.008","92.332","0.007","763.94","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-<i>N</i>'-cyclohexylidene-3-methyl-1<i>H</i>-indole-2-carbohydrazide","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C32 H36 Cl2 N6 O2 -","2","1","SJ5335","Akkurt, Mehmet; Zopun, Muhammet; Capan, Gültaze; Büyükgüngör, Orhan","5-Chloro-N'-cyclo-hexyl-idene-3-methyl-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1137","","10.1107/S1600536813016899","","","0.71073","MoKα","","0.1025","0.0527","","","0.1105","0.1289","","","","","","1.012","","","","has coordinates","245632","2020-10-21","18:00:00",""
"2311161","17.8961","0.0005","8.0768","0.0002","6.8871","0.0002","90","","90","","90","","995.48","0.05","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraammine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) perchlorate","","- C H12 Cl Co N4 O7 -","- C H12 Cl Co N4 O7 -","- C4 H48 Cl4 Co4 N16 O28 -","4","0.5","LH5627","Mohan, Singaravelu Chandra; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Jothivenkatachalam, Kandasamy","Tetraammine(carbonato-κ(2) O,O')cobalt(III) perchlorate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","i45","i46","10.1107/S1600536813018187","","","0.71073","MoKα","","0.0525","0.0417","","","0.143","0.1528","","","","","","1.153","","","","has coordinates","245633","2020-10-21","18:00:00",""
"2311162","10.471","0.002","9.7798","0.0019","21.682","0.004","90","","91.08","0.004","90","","2219.9","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C26 H25 Cl N2 -","- C26 H25 Cl N2 -","- C104 H100 Cl4 N8 -","4","1","YK2095","Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Marzouk, Adel A.; Abdelhamid, Antar A.","2-(4-Chloro-phen-yl)-1-pentyl-4,5-di-phenyl-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1243","","10.1107/S1600536813018229","","","0.71073","MoKα","","0.0952","0.053","","","0.0976","0.1096","","","","","","0.887","","","","has coordinates","245634","2020-10-21","18:00:00",""
"2311163","16.979","0.009","9.407","0.005","7.034","0.004","90","","103.927","0.011","90","","1090.5","1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile","","- C12 H7 N3 O S -","- C12 H7 N3 O S -","- C48 H28 N12 O4 S4 -","4","1","HG5329","Akkurt, Mehmet; El-Saghier, Ahmed M M; Younes, Sabry H. H.; Horton, Peter N.; Albayati, Mustafa R.","2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)propanedi-nitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1313","","10.1107/S1600536813018308","","","0.71075","MoKα","","0.0228","0.0224","","","0.0606","0.0608","","","","","","1.075","","","","has coordinates","245635","2020-10-21","18:00:00",""
"2311164","22.6986","0.0011","22.6986","0.0011","8.448","0.0005","90","","90","","90","","4352.6","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","5-Fluoro-3-phenyl-<i>N</i>'-(4-propylcyclohexylidene)-1<i>H</i>-indole-2-carbohydrazide","","- C24 H26 F N3 O -","- C24 H26 F N3 O -","- C192 H208 F8 N24 O8 -","8","1","HB7101","Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan","5-Fluoro-3-phenyl-N'-(4-propyl-cyclo-hexyl-idene)-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1202","","10.1107/S1600536813018333","","","0.71073","MoKα","","0.0681","0.0465","","","0.0853","0.0922","","","","","","1.032","","","","has coordinates","245636","2020-10-21","18:00:00",""
"2311165","9.4394","0.001","22.206","0.003","9.433","0.0009","90","","107.172","0.003","90","","1889.1","0.4","300","","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-[(4-Benzyl-1<i>H</i>-1,2,3-triazol-1-yl)methyl]-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepine","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","HB7099","Manjunath, B. C.; Vinay Kumar, K. S.; Madan Kumar, S.; Sadashiva, M. P.; Lokanath, N. K.","5-[(4-Benzyl-1H-1,2,3-triazol-1-yl)meth-yl]-5H-dibenzo[b,f]azepine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1233","","10.1107/S1600536813018412","","","0.71073","MoKα","","0.0579","0.0451","","","0.1167","0.1235","","","","","","1.005","","","","has coordinates","245637","2020-10-21","18:00:00",""
"2311166","11.663","0.0006","13.532","0.0007","14.7754","0.0008","112.967","0.004","95.936","0.004","111.385","0.004","1915.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-<i>N</i>'-(4-methylcyclohexylidene)-3-phenyl-1<i>H</i>-indole-2-carbohydrazide","","- C22 H22 F N3 O -","- C22 H22 F N3 O -","- C88 H88 F4 N12 O4 -","4","2","SJ5341","Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Capan, Gültaze; Büyükgüngör, Orhan","5-Fluoro-N'-(4-methyl-cyclo-hexyl-idene)-3-phenyl-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1211","2","10.1107/S1600536813018436","","","0.71073","MoKα","","0.0881","0.0569","","","0.1302","0.1443","","","","","","1.025","","","","has coordinates","245638","2020-10-21","18:00:00",""
"2311167","13.2082","0.0018","13.2082","0.0018","23.584","0.004","90","","90","","120","","3563.2","0.9","296","2","296","2","","","","","","","","6","P 65","P 65","170","","5-Fluoro-<i>N</i>-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1<i>H</i>-indole-2-carboxamide","","- C24 H24 F N3 O2 S -","- C24 H24 F N3 O2 S -","- C144 H144 F6 N18 O12 S6 -","6","1","QM2099","Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan","5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1229","","10.1107/S1600536813018576","","","0.71073","MoKα","","0.0701","0.0419","","","0.0911","0.1002","","","","","","0.958","","","","has coordinates","245639","2020-10-21","18:00:00",""
"2311168","7.8117","0.0005","17.1953","0.0012","9.9003","0.0007","90","","106.756","0.001","90","","1273.39","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(5-methoxy-2-methyl-1<i>H</i>-indol-3-yl)acetate","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","SU2618","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","Ethyl 2-(5-meth-oxy-2-methyl-1H-indol-3-yl)acetate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1242","","10.1107/S1600536813018618","","","0.71073","MoKα","","0.0519","0.0441","","","0.111","0.1168","","","","","","1.075","","","","has coordinates","245640","2020-10-21","18:00:00",""
"2311169","8.6121","0.0015","10.6579","0.0015","14.328","0.003","90","","92.58","0.003","90","","1313.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-amino-5-anilino-4-cyanothiophene-2-carboxylate","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","PV2639","El-Saghier, Ahmed M M; Akkurt, Mehmet; Mohamed, Shaaban K.; Horton, Peter N.; Albayati, Mustafa R.","Ethyl 3-amino-5-anilino-4-cyano-thio-phene-2-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1244","5","10.1107/S1600536813018734","","","0.71075","MoKα","","0.044","0.0384","","","0.085","0.0881","","","","","","1.069","","","","has coordinates","245641","2020-10-21","18:00:00",""
"2311170","9.4952","0.0009","7.4845","0.0007","34.692","0.003","90","","90","","90","","2465.5","0.4","150","","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Phenyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C104 H120 N24 S8 -","8","1","TK5237","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","4-Phenyl-1,2,4-tri-aza-spiro-[4.5]dec-1-ene-3-thione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1259","","10.1107/S1600536813019120","","","0.71073","MoKα","","0.0458","0.0415","","","0.1016","0.1044","","","","","","1.099","","","","has coordinates","245642","2020-10-21","18:00:00",""
"2311171","7.6018","0.0005","11.9648","0.0007","14.0877","0.0009","106.425","0.001","104.7","0.002","106.296","0.001","1099.75","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Methyl 5-(4-acetoxyphenyl)-2-(2-bromobenzylidine)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C24 H19 Br N2 O5 S -","- C24 H19 Br N2 O5 S -","- C48 H38 Br2 N4 O10 S2 -","2","1","LH5628","Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","Methyl 5-(4-acet-oxy-phen-yl)-2-(2-bromo-benzyl-idine)-7-methyl-3-oxo-2,3-di-hydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1262","","10.1107/S1600536813019132","","","0.71073","MoKα","","0.0525","0.0393","","","0.0915","0.096","","","","","","1.048","","","","has coordinates","245643","2020-10-21","18:00:00",""
"2311172","7.7571","0.0001","8.3277","0.0001","11.2965","0.0001","82.283","0.007","75.839","0.007","66.823","0.006","649.87","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2,2'-[Ethane-1,2-diylbis(oxy)]dibenzaldehyde","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","BT6920","Akkurt, Mehmet; Mohamed, Shaaban K.; Horton, Peter N.; Abdel-Raheem, Eman M M; Albayati, Mustafa R.","2,2'-[Ethane-1,2-diylbis(-oxy)]dibenz-alde-hyde.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1260","","10.1107/S1600536813019156","","","0.71075","MoKα","","0.0407","0.0394","","","0.0997","0.1007","","","","","","1.068","","","","has coordinates","245644","2020-10-21","18:00:00",""
"2311173","11.7063","0.0009","20.2301","0.0016","9.5419","0.0008","90","","99.725","0.002","90","","2227.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-2-[4-(trifluromethyl)phenyl]-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C29 H19 F3 N2 O -","- C29 H19 F3 N2 O -","- C116 H76 F12 N8 O4 -","4","1","BV2223","Mohandas, T.; Sathishkumar, R.; Jayabharathi, J.; Pasupathi, A.; Sakthivel, P.","1-(4-Meth-oxy-phen-yl)-2-[4-(tri-fluoro-meth-yl)phen-yl]-1H-phenanthro[9,10-d]imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1293","4","10.1107/S1600536813019351","","","0.71073","MoKα","","0.0733","0.0451","","","0.1063","0.1238","","","","","","1.011","","","","has coordinates","245645","2020-10-21","18:00:00",""
"2311174","12.201","0.005","13.429","0.005","13.932","0.005","90.47","0.007","110.099","0.006","107.321","0.006","2030.9","1.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(4-Isobutylphenyl)-<i>N</i>'-[1-(4-nitrophenyl)ethylidene]propanohydrazide","","- C21 H25 N3 O3 -","- C21 H25 N3 O3 -","- C84 H100 N12 O12 -","4","2","GK2579","Manjunath, B. C.; Madan Kumar, S.; Vinayaka, A. C.; Jayasheelan, S.; Sadashiva, M. P.; Lokanath, N. K.","A triclinic polymorph of (E)-2-(4-iso-butyl-phen-yl)-N'-[1-(4-nitro-phen-yl)ethyl-idene]propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1333","","10.1107/S1600536813019892","","","0.71073","MoKα","","0.1356","0.0679","","","0.1571","0.1934","","","","","","1.021","","","","has coordinates","245646","2020-10-21","18:00:00",""
"2311175","6.0793","0.0006","18.879","0.002","8.575","0.0009","90","","100.747","0.005","90","","966.9","0.17","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,3-Bis[(5-aminofuran-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium hexafluorophosphate","","- C16 H21 F6 N2 O2 P -","- C16 H21 F6 N2 O2 P -","- C32 H42 F12 N4 O4 P2 -","2","0.5","HG5332","Akkurt, Mehmet; Akkoç, Senem; Gök, Yetkin; Tahir, Muhammad Nawaz","1,3-Bis[(5-amino-furan-2-yl)meth-yl]-3,4,5,6-tetra-hydro-pyrimidin-1-ium hexa-fluoro-phosphate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1325","","10.1107/S1600536813020187","","","0.71073","MoKα","","0.1077","0.0767","","","0.2139","0.2473","","","","","","1.075","","","","has coordinates","245647","2020-10-21","18:00:00",""
"2311176","7.937","0.0008","10.7587","0.0011","11.9325","0.0013","94.922","0.002","97.436","0.002","95.383","0.002","1000.95","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(1<i>Z</i>,2<i>E</i>)-1-(3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene)-2-(1-<i>p</i>-tolylethylidene)hydrazine","","- C24 H21 N3 S -","- C24 H21 N3 S -","- C48 H42 N6 S2 -","2","1","XU5722","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","(1Z,2E)-1-(3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene)-2-(1-p-tolyl-ethyl-idene)hydrazine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1324","","10.1107/S1600536813020254","","","0.71073","MoKα","","0.0477","0.0429","","","0.1138","0.1186","","","","","","1.062","","","","has coordinates","245648","2020-10-21","18:00:00",""
"2311177","11.8121","0.0005","13.3802","0.0005","15.5693","0.0006","114.328","0.003","95.642","0.003","110.434","0.003","2014.85","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-(4-Ethylcyclohexylidene)-5-fluoro-3-phenyl-1<i>H</i>-indole-2-carbohydrazide","","- C23 H24 F N3 O -","- C23 H24 F N3 O -","- C92 H96 F4 N12 O4 -","4","2","SJ5346","Akkurt, Mehmet; Celikesir, Sevim Türktekin; Ustündağ, Gökçe Cihan; Capan, Gültaze; Büyükgüngör, Orhan","N'-(4-Ethyl-cyclo-hexyl-idene)-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1331","","10.1107/S1600536813020394","","","0.71073","MoKα","","0.0988","0.0665","","","0.1607","0.1797","","","","","","1.023","","","","has coordinates,has disorder","245649","2020-10-21","18:00:00",""
"2311178","19.4157","0.0005","7.6564","0.0002","27.404","0.0007","90","","90","","90","","4073.72","0.18","273","","273","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[4-(4-Methoxyphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl][4-(trifluoromethyl)phenyl]methanone","","- C23 H15 F3 N2 O2 S -","- C23 H15 F3 N2 O2 S -","- C184 H120 F24 N16 O16 S8 -","8","1","SU2625","Pampa, K. J.; Abdoh, M. M. M.; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.","[4-(4-Meth-oxy-phen-yl)-2-(pyridin-3-yl)-1,3-thia-zol-5-yl][4-(tri-fluoro-meth-yl)phen-yl]methanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1434","","10.1107/S1600536813021259","","","1.54178","CuKα","","0.0568","0.0551","","","0.1597","0.1621","","","","","","1.051","","","","has coordinates","245650","2020-10-21","18:00:00",""
"2311179","8.3713","0.0012","21.568","0.003","21.591","0.003","90","","96.411","0.002","90","","3873.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl (2<i>Z</i>)-((2<i>Z</i>)-2-{(2<i>E</i>)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)ethanoate","","- C21 H19 N3 O3 S -","- C21 H19 N3 O3 S -","- C168 H152 N24 O24 S8 -","8","2","LH5636","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","Methyl (2Z)-((2Z)-2-{(2E)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)ethano-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1401","2","10.1107/S1600536813021533","","","0.71073","MoKα","","0.0568","0.0436","","","0.1036","0.1123","","","","","","1.054","","","","has coordinates","245651","2020-10-21","18:00:00",""
"2311180","6.506","0.0003","11.8417","0.0004","14.1794","0.0005","104.385","0.002","97.905","0.002","99.549","0.002","1025.07","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(3,5-Dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)acetic acid","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","2","HB7113","Akkurt, Mehmet; Jarrahpour, Aliasghar; Shirvani, Pouria; Tahir, Muhammad Nawaz","2-(3,5-Dioxo-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-en-4-yl)acetic acid.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1404","","10.1107/S1600536813021764","","","0.71073","MoKα","","0.05","0.04","","","0.099","0.1065","","","","","","1.033","","","","has coordinates","245652","2020-10-21","18:00:00",""
"2311181","9.1198","0.0004","15.4226","0.0005","10.7584","0.0004","90","","108.546","0.005","90","","1434.6","0.1","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzhydryl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C15 H12 N2 S2 -","- C15 H12 N2 S2 -","- C60 H48 N8 S8 -","4","1","TK5245","Thornton, Megan T.; Healy, Peter C.; Henderson, Luke C.","3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1407","","10.1107/S1600536813021867","","","0.7107","MoKα","","0.0526","0.0433","","","0.1031","0.1079","","","","","","1.134","","","","has coordinates","245653","2020-10-21","18:00:00",""
"2311182","10.665","0.005","9.619","0.005","21.541","0.01","90","","91.092","0.009","90","","2209.4","1.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Bromophenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C26 H25 Br N2 -","- C26 H25 Br N2 -","- C104 H100 Br4 N8 -","4","1","SU2633","Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Marzouk, Adel A.; Albayati, Mustafa R.","2-(4-Bromo-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1417","","10.1107/S1600536813021983","","","0.71073","MoKα","","0.1288","0.0655","","","0.0979","0.1158","","","","","","0.876","","","","has coordinates","245654","2020-10-21","18:00:00",""
"2311183","5.774","0.0002","14.9402","0.0006","19.2441","0.0007","106.06","0.001","93.459","0.001","92.653","0.001","1588.96","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4<i>E</i>)-4-[(2-Hydroxyanilino)methylidene]-1-phenylpyrazolidine-3,5-dione dimethyl sulfoxide hemisolvate","","- C17 H16 N3 O3.5 S0.5 -","- C17 H16 N3 O3.5 S0.5 -","- C68 H64 N12 O14 S2 -","4","2","HG5338","Akkurt, Mehmet; Mohamed, Shaaban K.; Elremaily, Mahmoud A. A.; Ahmed, Eman A.; Albayati, Mustafa R.","(4E)-4-[(2-Hy-droxy-anilino)methyl-idene]-1-phenyl-pyrazolidine-3,5-dione dimethyl sulfoxide hemisolvate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1408","9","10.1107/S1600536813022034","","","0.71073","MoKα","","0.0596","0.044","","","0.1046","0.1122","","","","","","1.015","","","","has coordinates","245655","2020-10-21","18:00:00",""
"2311184","8.2786","0.0009","10.1194","0.0011","11.7739","0.0013","93.001","0.002","108.993","0.002","105.578","0.002","887.75","0.17","150","","150","2","","","","","","","","4","P -1","-P 1","2","","2-(5-Methoxy-2-methyl-1<i>H</i>-indol-3-yl)-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-phenylprop-2-en-1-ylidene]acetohydrazide","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C42 H42 N6 O4 -","2","1","QM2100","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Albayati, Mustafa R.; El-Remaily, Mahmoud A A","2-(5-Meth-oxy-2-methyl-1H-indol-3-yl)-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]acetohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1493","","10.1107/S1600536813023805","","","0.71073","MoKα","","0.0555","0.0448","","","0.1183","0.1264","","","","","","1.077","","","","has coordinates","245656","2020-10-21","18:00:00",""
"2311185","7.17","0.003","7.809","0.003","16.357","0.006","90","","93.301","0.006","90","","914.3","0.6","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>R</i>*,4<i>R</i>*,7<i>S</i>*,10<i>R</i>*,12<i>R</i>*)-3,11,13,15-Tetraoxapentacyclo[5.5.3.0^1,7^.0^2,4^.0^10,12^]pentadeca-5,8-dien-14-one","","- C11 H8 O5 -","- C11 H8 O5 -","- C44 H32 O20 -","4","1","IS5298","Mehta, Goverdhan; Sen, Saikat; Kumar, C. S. Ananda","(2R*,4R*,7S*,10R*,12R*)-3,11,13,15-Tetra-oxa-penta-cyclo-[5.5.3.0(1,7).0(2,4).0(10,12)]penta-deca-5,8-dien-14-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1504","5","10.1107/S1600536813023817","","","0.71073","MoKa","","0.0927","0.0717","","","0.1522","0.1616","","","","","","1.175","","","","has coordinates","245657","2020-10-21","18:00:00",""
"2311186","20.94","0.003","13.76","0.003","7.2852","0.0011","90","","96.369","0.004","90","","2086.2","0.6","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Trifluoromethyl-10<i>H</i>-benzo[4,5]imidazo[1,2-<i>a</i>]pyrimidin-4-one","","- C11 H6 F3 N3 O -","- C11 H6 F3 N3 O -","- C88 H48 F24 N24 O8 -","8","1","FF2117","Chandra, ?; Puttaraju, K. B.; Shivashankar, K.; Jithesh Babu, E. A.; Mahendra, M.","2-Tri-fluoro-methyl-10H-benzo[4,5]imidazo[1,2-a]pyrimidin-4-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1536","","10.1107/S160053681302401X","","","0.71073","MoKα","","0.055","0.0495","","","0.1374","0.1429","","","","","","1.057","","","","has coordinates","245658","2020-10-21","18:00:00",""
"2311187","18.6794","0.0011","7.5477","0.0004","15.5196","0.0008","90","","103.622","0.005","90","","2126.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5-diketone","1,5-Bis(4-chlorophenyl)-3-(4-methylphenyl)pentane-1,5-dione","","- C24 H20 Cl2 O2 -","- C24 H20 Cl2 O2 -","- C96 H80 Cl8 O8 -","4","1","JJ2174","Chithiravel, R.; Thiruvalluvar, A.; Muthusubramanian, S.; Butcher, R. J.","1,5-Bis(4-chloro-phen-yl)-3-(4-methyl-phen-yl)pentane-1,5-dione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1508","9","10.1107/S1600536813024355","","","0.71073","MoKα","","0.0555","0.0495","","","0.1407","0.1461","","","","","","1.072","","","","has coordinates","245659","2020-10-21","18:00:00",""
"2311188","11.0031","0.0003","12.5937","0.0003","13.0787","0.0003","90","","100.255","0.002","90","","1783.36","0.08","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-Chloro-3-[(dimethylamino)methylidene]thiochroman-4-one","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C72 H72 Cl6 N6 O6 S6 -","6","3","PV2641","Khan, Ashraf Y.; Fathima, Nikhath; Kalashetti, Mallikarjun B.; Begum, Noor Shahina; Khazi, I. M.","6-Chloro-3-[(di-methyl-amino)-methyl-idene]thio-chroman-4-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1521","","10.1107/S1600536813024550","","","0.71073","MoKα","","0.0506","0.0385","","","0.0808","0.0874","","","","","","1.011","","","","has coordinates","245660","2020-10-21","18:00:00",""
"2311189","7.6235","0.0003","10.5652","0.0004","13.1177","0.0004","103.344","0.002","95.025","0.002","108.221","0.002","961.78","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","1-{3-(4-Methylphenyl)-5-[5-(2-nitrophenyl)furan-2-yl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}ethanone","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C44 H38 N6 O8 -","2","1","HB7133","Vinutha, N.; Madan Kumar, S.; Vidyashree Jois, B. S.; Balakrishna, Kalluraya; Lokanath, N. K.; Revannasiddaiah, D.","1-{3-(4-Methyl-phen-yl)-5-[5-(2-nitro-phen-yl)furan-2-yl]-4,5-di-hydro-1H-pyrazol-1-yl}ethanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1528","","10.1107/S1600536813024690","","","1.54178","CuKα","","0.1061","0.0839","","","0.2164","0.2417","","","","","","1.056","","","","has coordinates","245661","2020-10-21","18:00:00",""
"2311190","12.3821","0.0004","17.8077","0.0007","14.5112","0.0005","90","","90.013","0.002","90","","3199.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Amino[(1<i>H</i>-benzimidazol-2-yl)amino]methaniminium 4-methylbenzenesulfonate","","- C15 H17 N5 O3 S -","- C15 H17 N5 O3 S -","- C120 H136 N40 O24 S8 -","8","2","SJ5349","Mohamed, Shaaban K.; Akkurt, Mehmet; Elremaily, Mahmoud A. A.; Ali, Ali M.; Albayati, Mustafa R.","Amino-[(1H-benzimidazol-2-yl)amino]-methaniminium 4-methyl-benzene-sulfonate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1543","4","10.1107/S1600536813024975","","","0.71073","MoKα","","0.0683","0.0436","","","0.0995","0.1087","","","","","","1.046","","","","has coordinates","245662","2020-10-21","18:00:00",""
"2311191","7.7043","0.0004","16.377","0.0008","17.7482","0.0009","90","","90","","90","","2239.3","0.2","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Hydroxy-3-methylphenyl)(phenyl)methanone","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","IS5303","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Shaukath, A. K.; Sridhar, M. A.","(4-Hy-droxy-3-methyl-phen-yl)(phen-yl)methanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1550","","10.1107/S160053681302521X","","","1.54178","CuKα","","0.0538","0.0455","","","0.1227","0.1289","","","","","","1.025","","","","has coordinates","245663","2020-10-21","18:00:00",""
"2311192","9.5049","0.0009","20.656","0.002","10.1364","0.001","90","","107.637","0.001","90","","1896.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-((2<i>Z</i>,5<i>Z</i>)-2-{(<i>E</i>)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate","","- C20 H17 N3 O4 S -","- C20 H17 N3 O4 S -","- C80 H68 N12 O16 S4 -","4","1","GK2589","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","Methyl 2-((2Z,5Z)-2-{(E)-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazin-1-yl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)acetate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1553","4","10.1107/S1600536813025270","","","0.71073","MoKα","","0.0546","0.0441","","","0.1105","0.1182","","","","","","1.057","","","","has coordinates","245664","2020-10-21","18:00:00",""
"2311193","14.2855","0.0015","13.7461","0.0012","18.4","0.002","90","","90","","90","","3613.2","0.6","123","","123.3","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-(2-Hydroxy-6-oxocyclohex-1-enyl)-9,10-dihydro-8<i>H</i>-benzo[<i>a</i>]xanthen-11(12<i>H</i>)-one","","- C23 H20 O4 -","- C23 H20 O4 -","- C184 H160 O32 -","8","1","SJ5351","Akkurt, Mehmet; Mohamed, Shaaban K.; Kennedy, Alan R.; Abdelhamid, Antar A.; Miller, Gary J.; Albayati, Mustafa R.","12-(2-Hy-droxy-6-oxo-cyclo-hex-1-en-yl)-9,10-di-hydro-8H-benzo[a]xanthen-11(12H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1558","9","10.1107/S1600536813025324","","","0.7107","MoKα","","0.0752","0.0511","","","0.102","0.1142","","","","","","1.037","","","","has coordinates,has disorder","245665","2020-10-21","18:00:00",""
"2311194","7.9622","0.0005","11.2672","0.0007","11.637","0.0007","96.273","0.001","94.386","0.001","96.302","0.001","1027.31","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-4-(4-Bromophenyl)-2-{(2<i>Z</i>)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-3-phenyl-2,3-dihydro-1,3-thiazole","","- C24 H20 Br N3 S -","- C24 H20 Br N3 S -","- C48 H40 Br2 N6 S2 -","2","1","XU5739","Mohamed, Shaaban K.; Akkurt, Mehmet; Mague, Joel T.; Hassan, Alaa A.; Albayati, Mustafa R.","(2E)-4-(4-Bromo-phen-yl)-2-{(2Z)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-3-phenyl-2,3-di-hydro-1,3-thia-zole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1563","4","10.1107/S1600536813025506","","","0.71073","MoKα","","0.0434","0.0366","","","0.0941","0.0973","","","","","","1.094","","","","has coordinates","245666","2020-10-21","18:00:00",""
"2311195","16.0231","0.0004","7.4216","0.0002","19.6843","0.0005","90","","90","","90","","2340.8","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Chloro-2-(2-chlorobenzoyl)phenol","","- C13 H8 Cl2 O2 -","- C13 H8 Cl2 O2 -","- C104 H64 Cl16 O16 -","8","1","TK5253","Bushra Begum, A.; Madan Kumar, S.; Manjunath, B. C.; Khanum, Shaukath Ara; Lokanath, N. K.","4-Chloro-2-(2-chloro-benzoyl)phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1568","","10.1107/S1600536813025609","","","1.54178","CuKα","","0.0799","0.0371","","","0.0995","0.1045","","","","","","1.058","","","","has coordinates","245667","2020-10-21","18:00:00",""
"2311196","9.0074","0.0006","15.7781","0.0014","11.3083","0.0007","90","","99.052","0.005","90","","1587.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(Morpholin-4-ylimino)methyl]-6-(morpholin-4-ylmethyl)phenol","","- C16 H23 N3 O3 -","- C16 H23 N3 O3 -","- C64 H92 N12 O12 -","4","1","TK5257","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Aberi, Mahdi; Büyükgüngör, Orhan","2-[(E)-(Morpholin-4-yl-imino)-meth-yl]-6-(morpholin-4-ylmeth-yl)phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1571","","10.1107/S160053681302566X","","","0.71073","MoKα","","0.1146","0.0579","","","0.1046","0.1227","","","","","","1.031","","","","has coordinates","245668","2020-10-21","18:00:00",""
"2311197","5.1506","0.0006","15.334","0.002","22.965","0.005","90","","90","","90","","1813.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}phenyl)methanimine","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C80 H72 N16 O12 -","4","1","HB7140","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan","(E)-N-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}phen-yl)methanimine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1576","","10.1107/S1600536813025749","","","0.71073","MoKα","","0.096","0.0463","","","0.0883","0.1032","","","","","","0.903","","","","has coordinates","245669","2020-10-21","18:00:00",""
"2311198","7.1894","0.0002","10.4055","0.0003","12.4403","0.0004","107.983","0.002","92.451","0.002","97.882","0.002","873.24","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(5-methoxy-2-methyl-1<i>H</i>-indol-3-yl)-acetohydrazide","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C40 H42 N6 O6 -","2","1","SJ5357","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Abelhamid, Antar A.; Albayati, Mustafa R.","N'-[(E)-4-Meth-oxy-benzyl-idene]-2-(5-meth-oxy-2-methyl-1H-indol-3-yl)acetohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 11","o1660","1","10.1107/S1600536813027050","","","1.54178","CuKα","","0.0457","0.0356","","","0.0835","0.0899","","","","","","1.037","","","","has coordinates","245670","2020-10-21","18:00:00",""
"2311199","13.1198","0.0005","16.1282","0.0006","16.3659","0.0006","90","","95.507","0.001","90","","3447","0.2","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(trifluoromethanesulfonato-κ<i>O</i>)copper(II)]","","- C30 H22 Cu2 F6 N4 O10 S2 -","- C30 H22 Cu2 F6 N4 O10 S2 -","- C120 H88 Cu8 F24 N16 O40 S8 -","4","0.5","IM2439","Wannarit, Nanthawat; Pakawatchai, Chaveng; Youngme, Sujittra","Di-μ-acetato-κ(4) O:O'-bis-[(1,10-phenanthroline-κ(2) N,N')(tri-fluoro-methane-sulfonato-κO)copper(II)].","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 11","m591","2","10.1107/S1600536813027323","","","0.71073","MoKα","","0.0415","0.0344","","","0.0955","0.1016","","","","","","1.038","","","","has coordinates","245671","2020-10-21","18:00:00",""
"2311200","10.7039","0.0014","12.9341","0.0017","17.478","0.002","77.343","0.002","82.865","0.002","70.373","0.002","2220.4","0.5","273","","273","","","","","","","","","5","P -1","-P 1","2","","5-Methyl-1,3-diphenyl-<i>N</i>-(5-phenyl-1,3,4-thiadiazol-2-yl)-1<i>H</i>-pyrazole-4-carboxamide","","- C25 H19 N5 O S -","- C25 H19 N5 O S -","- C100 H76 N20 O4 S4 -","4","2","HB7148","Chandra, ?; Mahesh, S. S.; Srikantamurthy, N.; Umesha, K. B.; Palani, K.; Mahendra, M.","5-Methyl-1,3-diphenyl-N-(5-phenyl-1,3,4-thia-diazol-2-yl)-1H-pyrazole-4-carboxamide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1736","","10.1107/S1600536813028766","","","0.71073","MoKα","","0.0749","0.0488","","","0.1175","0.1329","","","","","","1.024","","","","has coordinates","245673","2020-10-21","18:00:00",""
"2311201","7.2786","0.001","11.5055","0.0016","27.22","0.004","90","","90","","90","","2279.5","0.6","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-[5-Methyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","2","IS5313","Vinutha, N.; Madan Kumar, S.; Nithinchandra, ?; Balakrishna, Kalluraya; Lokanath, N. K.; Revannasiddaiah, D.","1-[5-Methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazol-4-yl]ethanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 11","o1724","","10.1107/S1600536813029425","","","1.54178","CuKα","","0.0532","0.0457","","","0.1317","0.1381","","","","","","1.075","","","","has coordinates","245674","2020-10-21","18:00:00",""
"2311202","22.399","0.015","11.18","0.008","8.19","0.006","90","","97.378","0.012","90","","2034","2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-Benzoyl-5-methyl-1,3-diphenyl-1<i>H</i>-pyrazole-4-carbohydrazide","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","PK2500","Chandra, ?; Srikantamurthy, N.; Kumar, Shamantha; Doreswamy, B. H.; Umesha, K. B.; Mahendra, M.","N'-Benzoyl-5-methyl-1,3-diphenyl-1H-pyrazole-4-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1769","","10.1107/S1600536813029528","","","0.71073","MoKα","","0.056","0.0404","","","0.0946","0.1038","","","","","","1.041","","","","has coordinates","245675","2020-10-21","18:00:00",""
"2311203","11.2936","0.0013","12.0531","0.0015","10.965","0.0013","90","","112.971","0.005","90","","1374.2","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Oxo-3-phenylpropyl)piperidinium chloride","","- C14 H20 Cl N O -","- C14 H20 Cl N O -","- C56 H80 Cl4 N4 O4 -","4","1","XU5748","Anuradha, Venkatramu; Madan Kumar, S.; Siddaraju, B. P.; Lokanath, N. K.; Nagendra, P.","1-(3-Oxo-3-phenyl-prop-yl)piperidinium chloride.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1748","","10.1107/S1600536813029887","","","1.54178","CuKα","","0.0953","0.0521","","","0.1225","0.1301","","","","","","1.087","","","","has coordinates","245676","2020-10-21","18:00:00",""
"2311204","11.4339","0.001","11.714","0.0012","14.4527","0.0013","90","","98.61","0.004","90","","1913.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-5<i>H</i>-dibenzo[<i>b,f</i>]azepine","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","SU2664","Manjunath, B. C.; Kumar, K. S. Vinay; Kumar, S. Madan; Sadashiva, M. P.; Lokanath, N. K.","5-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-yl]-5H-dibenzo[b,f]azepine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1763","","10.1107/S1600536813030547","","","1.54178","CuKα","","0.0536","0.0472","","","0.1293","0.135","","","","","","1.058","","","","has coordinates,has disorder","245677","2020-10-21","18:00:00",""
"2311205","5.8319","0.0003","12.3759","0.0006","13.5707","0.0006","86.484","0.002","80.098","0.002","78.671","0.002","945.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-2-methyl-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-2-carboxylate","","- C20 H18 Cl2 N2 O3 -","- C20 H18 Cl2 N2 O3 -","- C40 H36 Cl4 N4 O6 -","2","1","SJ5367","Akkurt, Mehmet; Mohamed, Shaaban K.; Elremaily, Mahmoud A. A.; Santoyo-Gonzalez, Francisco; Albayati, Mustafa R.","Ethyl 4-(4-chloro-anilino)-1-(4-chloro-phen-yl)-2-methyl-5-oxo-2,5-di-hydro-1H-pyrrole-2-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1761","2","10.1107/S1600536813030560","","","0.71073","MoKα","","0.0689","0.0447","","","0.0965","0.1072","","","","","","1.016","","","","has coordinates","245678","2020-10-21","18:00:00",""
"2311206","7.803","0.0015","8.275","0.0016","8.3596","0.0016","100.945","0.008","92.379","0.008","105.911","0.007","507.15","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","5-[(2-Methyl-4-nitro-1<i>H</i>-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine","","- C7 H8 N6 O2 S -","- C7 H8 N6 O2 S -","- C14 H16 N12 O4 S2 -","2","1","HB7159","Usha, M. K.; Madan Kumar, S.; Vidyashree Jois, H. S.; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","5-[(2-Methyl-4-nitro-1H-imidazol-1-yl)meth-yl]-1,3,4-thia-diazol-2-amine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1825","","10.1107/S1600536813030821","","","1.54178","CuKα","","0.0849","0.0836","","","0.2028","0.2062","","","","","","1.098","","","","has coordinates","245679","2020-10-21","18:00:00",""
"2311207","9.1832","0.0011","9.7082","0.001","14.1415","0.0016","90","","104.26","0.01","90","","1221.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methoxy-3-(trimethylsilyl)phenylboronic acid","","- C10 H17 B O3 Si -","- C10 H17 B O3 Si -","- C40 H68 B4 O12 Si4 -","4","1","TK5273","Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz","2-Meth-oxy-3-(tri-methyl-sil-yl)phenyl-boronic acid.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1818","","10.1107/S1600536813031656","","","0.71073","MoKα","","0.0509","0.0339","","","0.0936","0.0969","","","","","","1.015","","","","has coordinates","245680","2020-10-21","18:00:00",""
"2311208","8.9","0.002","11.915","0.003","12.009","0.003","106.757","0.006","96.007","0.005","108.17","0.006","1131.8","0.5","150","","150","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4-Dimethoxyphenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C56 H60 N4 O4 -","2","1","SJ5371","Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Singh, Kuldip; Albayati, Mustafa R.","2-(3,4-Di-meth-oxy-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1833","4","10.1107/S1600536813031759","","","0.71073","MoKα","","0.1073","0.058","","","0.108","0.1267","","","","","","0.873","","","","has coordinates","245681","2020-10-21","18:00:00",""
"2311209","9.1129","0.0006","9.5116","0.0006","13.7914","0.0008","90.978","0.003","101.749","0.002","93.449","0.003","1167.72","0.13","296","","296","","","","","","","","","6","P -1","-P 1","2","","1-(4-Methylphenylsulfonyl)-2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}-1<i>H</i>-1,3-benzimidazole","","- C23 H20 F3 N3 O3 S2 -","- C23 H20 F3 N3 O3 S2 -","- C46 H40 F6 N6 O6 S4 -","2","1","XU5751","Shivaprasad, C. M.; Kumar, S. Madan; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.","1-(4-Methyl-phenyl-sulfon-yl)-2-{[3-methyl-4-(2,2,2-tri-fluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-1,3-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1846","","10.1107/S1600536813031899","","","1.54178","CuKα","","0.0548","0.0497","","","0.1383","0.1435","","","","","","1.082","","","","has coordinates","245682","2020-10-21","18:00:00",""
"2311210","15.7027","0.0006","4.8543","0.0002","33.5974","0.0013","90","","92.539","0.003","90","","2558.47","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethyl (2<i>Z</i>)-2-[4-((1<i>Z</i>)-1-{2-[(2<i>Z</i>,5<i>Z</i>)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]hydrazin-1-ylidene}ethyl)anilino]but-2-enedioate","","- C26 H24 N4 O7 S -","- C26 H24 N4 O7 S -","- C104 H96 N16 O28 S4 -","4","1","SJ5373","Mohamed, Shaaban K.; Akkurt, Mehmet; Mague, Joel T.; Hassan, Alaa A.; Albayati, Mustafa R.","Dimethyl (2Z)-2-[4-((1Z)-1-{2-[(2Z,5Z)-5-(2-meth-oxy-2-oxo-ethyl-idene)-4-oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene]hydra-zin-1-yl-idene}eth-yl)anilino]but-2-ene-dio-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1844","5","10.1107/S1600536813032042","","","1.54178","CuKα","","0.1147","0.0699","","","0.1373","0.1561","","","","","","1.029","","","","has coordinates,has disorder","245683","2020-10-21","18:00:00",""
"2311211","8.5305","0.0007","14.2102","0.0011","7.8803","0.0006","90","","104.381","0.0011","90","","925.32","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,3,4-Thiadiazole-2,5-diyl)bis(sulfanediyl)]diacetonitrile","","- C6 H4 N4 S3 -","- C6 H4 N4 S3 -","- C24 H16 N16 S12 -","4","1","HG5363","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; El-Saghier, Ahmed M M; Albayati, Mustafa R.","2,2'-[(1,3,4-Thia-diazole-2,5-di-yl)bis-(sulfanedi-yl)]diaceto-nitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1855","","10.1107/S1600536813032194","","","0.71073","MoKα","","0.0343","0.0288","","","0.0695","0.0743","","","","","","1.054","","","","has coordinates","245684","2020-10-21","18:00:00",""
"2311624","12.322","0.0003","7.303","0.0002","18.245","0.0003","90","","108.909","0.001","90","","1553.22","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-benzimidazole","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","1","GO2077","Mohandas, T.; Jayamoorthy, K.; Jayabharathi, J.; Sakthivel, P.","2-(4-Meth-oxy-phen-yl)-1-phenyl-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o269","70","10.1107/S1600536813001566","","","0.71073","MoKα","","0.0437","0.0347","","","0.0848","0.0924","","","","","","1.034","","","","has coordinates","246038","2020-10-21","18:00:00",""
"2311625","18.1224","0.0017","7.8055","0.0006","12.5057","0.0013","90","","132.207","0.009","90","","1310.3","0.3","301","","301","","","","","","","","","3","C 1 c 1","C -2yc","9","","3-Methyl-1,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","HB7053","Manjula, M.; Jayaroopa, P.; Manjunath, B. C.; Ajay Kumar, K.; Lokanath, N. K.","3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o602","","10.1107/S1600536813007575","","","0.71073","MoKα","","0.0524","0.0373","","","0.1154","0.1307","","","","","","0.905","","","","has coordinates","246039","2020-10-21","18:00:00",""
"2311626","7.8441","0.0006","9.9413","0.0008","10.2846","0.0013","112.058","0.007","98.333","0.008","111.306","0.005","654.69","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","2-Amino-4,6-dimethylpyrimidine‒sorbic acid (1/1)","2-Amino-4,6-dimethylpyrimidine‒sorbic acid (1/1)","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C24 H34 N6 O4 -","2","1","IS5286","Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas","2-Amino-4,6-di-methyl-pyrimidine-sorbic acid (1/1).","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1235","","10.1107/S1600536813018175","","","0.71073","MoKα","","0.0917","0.0688","","","0.1835","0.2103","","","","","","1.034","","","","has coordinates","246040","2020-10-21","18:00:00",""
"2311627","8.037","0.002","9.797","0.003","12.51","0.004","72.774","0.016","86.838","0.016","76.804","0.016","915.9","0.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","Ethyl 1,4-bis(4-chlorophenyl)-2-methyl-1<i>H</i>-pyrrole-3-carboxylate","","- C20 H17 Cl2 N O2 -","- C20 H17 Cl2 N O2 -","- C40 H34 Cl4 N2 O4 -","2","1","FB2292","Nandeesh, K. N.; Chandra, ?; Mahendra, M.; Palani, K.; Mantelingu, K.","Ethyl 1,4-bis-(4-chloro-phen-yl)-2-methyl-1H-pyrrole-3-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1269","","10.1107/S1600536813019247","","","0.71073","MoKα","","0.0745","0.0441","","","0.1068","0.1253","","","","","","1.025","","","","has coordinates","246041","2020-10-21","18:00:00",""
"2311628","5.9071","0.0006","11.3474","0.0012","14.1716","0.0014","111.467","0.002","101.113","0.003","95.328","0.003","853.45","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1<i>H</i>-pyrrole-2-carboxylate","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C40 H40 N4 O6 -","2","1","IS5318","Akkurt, Mehmet; Mohamed, Shaaban K.; Elremaily, Mahmoud A. A.; Santoyo-Gonzalez, Francisco; Albayati, Mustafa R.","Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-di-hydro-1H-pyrrole-2-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1757","8","10.1107/S1600536813030390","","","1.54178","CuKα","","0.0386","0.0368","","","0.0946","0.0962","","","","","","1.036","","","","has coordinates","246042","2020-10-21","18:00:00",""