# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2026-02-11T10:12:42+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 = 70 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 "2311212","7.7957","0.0015","27.916","0.006","8.2701","0.0017","90","","90","","90","","1799.8","0.6","150","2","150","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","Bis(4-aminobenzenesulfonamide-κN^4^)dichloridozinc","","- C12 H16 Cl2 N4 O4 S2 Zn -","- C12 H16 Cl2 N4 O4 S2 Zn -","- C48 H64 Cl8 N16 O16 S8 Zn4 -","4","0.5","LH5676","Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Dénès, George","Bis(4-amino-benzene-sulfonamide-κN (4))di-chlorido-zinc.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 1","m28","9","10.1107/S160053681303417X","","","0.71073","MoKα","","0.0698","0.0403","","","0.0584","0.0666","","","","","","0.995","","","","has coordinates","245685","2020-10-21","18:00:00","" "2311213","22.937","0.003","9.2022","0.0009","13.2859","0.001","90","","100.749","0.008","90","","2755.1","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Cyano-3-fluorophenyl 4-(hexadecyloxy)benzoate","","- C30 H40 F N O3 -","- C30 H40 F N O3 -","- C120 H160 F4 N4 O12 -","4","1","IS5333","Usha, M. K.; Srinivas, H. T.; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.","4-Cyano-3-fluoro-phenyl 4-(hexa-dec-yl-oxy)benzoate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o244","","10.1107/S1600536814001871","","","0.71073","MoKα","","0.1328","0.0587","","","0.1133","0.1464","","","","","","0.957","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311214","5.9396","0.0006","12.3808","0.0015","30.522","0.003","90","","90","","90","","2244.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-Fluorophenyl)(2-hydroxy-5-methylphenyl)methanone","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C112 H88 F8 O16 -","8","1","HB7191","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Khanum, S. A.; Sridhar, M. A.","(4-Fluoro-phen-yl)(2-hy-droxy-5-methyl-phen-yl)methanone.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o286","","10.1107/S1600536814001883","","","1.54178","CuKα","","0.0541","0.0471","","","0.1288","0.1348","","","","","","1.057","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311215","9.847","0.002","10.492","0.003","17.819","0.004","90","","90","","90","","1841","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(Thiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine","","- C20 H14 F3 N S2 -","- C20 H14 F3 N S2 -","- C80 H56 F12 N4 S8 -","4","1","JJ2182","Manjunath, B. C.; Manjula, M.; Raghavendra, K. R.; Ajay Kumar, K.; Lokanath, N. K.","4-(Thio-phen-2-yl)-2-[4-(tri-fluoro-meth-yl)phen-yl]-2,3-di-hydro-1,5-benzo-thia-zepine.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o261","","10.1107/S1600536814002529","","","1.54178","CuKα","","0.0961","0.0846","","","0.2161","0.2394","","","","","","1.034","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311216","8.5873","0.0009","20.0601","0.0013","10.745","0.0009","90","","97.241","0.008","90","","1836.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-Benzyl(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)amine","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C80 H80 N16 O4 -","4","1","SJ5391","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Ozdemir, Namık","(E)-Benz-yl(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)amine.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o264","","10.1107/S1600536814002645","","","0.71073","MoKα","","0.2623","0.0794","","","0.0795","0.1171","","","","","","0.931","","","","has coordinates,has disorder","301809","2025-08-19","19:04:03","" "2311217","10.5992","0.0008","11.6351","0.001","14.8758","0.0013","95.811","0.007","100.724","0.006","99.838","0.006","1759.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine","","- C17 H21 N5 O2 -","- C17 H21 N5 O2 -","- C68 H84 N20 O8 -","4","2","HG5381","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Ozdemir, Namık","(E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)morpholin-4-amine.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o289","90","10.1107/S1600536814002827","","","0.71073","MoKα","","0.1748","0.0799","","","0.1796","0.2235","","","","","","0.903","","","","has coordinates,has disorder","301809","2025-08-19","19:04:03","" "2311218","7.3016","0.0012","7.6855","0.0013","11.4706","0.0019","88.337","0.003","84.87","0.003","89.937","0.003","640.84","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C26 H28 N4 O6 S2 -","2","1","LH5689","Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","Methyl 4-(4-hy-droxy-phen-yl)-6-methyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o306","","10.1107/S1600536814002888","","","0.71073","MoKα","","0.0972","0.0666","","","0.1571","0.2238","","","","","","1.215","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311219","5.5768","0.0006","9.2288","0.0009","22.574","0.002","85.974","0.001","84.438","0.001","79","0.001","1133.51","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-((1E)-1-{2-[(2Z)-4-(4-Bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)pyridin-1-ium bromide monohydrate","","- C22 H20 Br2 N4 O S -","- C22 H20 Br2 N4 O S -","- C44 H40 Br4 N8 O2 S2 -","2","1","QM2104","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abd El-Alaziz, Ahmed T; Albayati, Mustafa R.","2-((1E)-1-{2-[(2Z)-4-(4-Bromo-phen-yl)-3-phenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)pyridin-1-ium bromide monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o328","9","10.1107/S160053681400347X","","","0.71073","MoKα","","0.045","0.0351","","","0.0912","0.0949","","","","","","1.087","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311220","14.942","0.0009","10.8718","0.0007","16.0773","0.001","90","","114.327","0.0008","90","","2379.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate","","- C48 H56 N4 O11 P2 S2 -","- C48 H56 N4 O11 P2 S2 -","- C96 H112 N8 O22 P4 S4 -","2","0.5","RZ5105","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Bis(2-amino-5-benzyl-3-eth-oxy-carbonyl-4,5,6,7-tetra-hydro-thieno[3,2-c]pyridin-5-ium) bis-(4-meth-oxy-phen-yl)di-phos-phon-ate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o348","9","10.1107/S1600536814003766","","","0.71073","MoKα","","0.0699","0.0486","","","0.1171","0.132","","","","","","1.038","","","","has coordinates,has disorder","245693","2020-10-21","18:00:00","" "2311221","11.714","0.003","8.43","0.002","33.872","0.008","90","","90","","90","","3344.8","1.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-[(E)-(Furan-2-yl)methylidene]-2-[4-(2-methylpropyl)phenyl]propanohydrazide","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C144 H176 N16 O16 -","8","1","HG5385","Akkurt, Mehmet; Mohamed, Shaaban K.; Mague, Joel T.; Albayati, Mustafa R.; Younes, Sabry H. H.","N'-[(E)-(Furan-2-yl)methyl-idene]-2-[4-(2-methyl-prop-yl)phen-yl]propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o356","","10.1107/S1600536814003936","","","0.71073","MoKα","","0.1219","0.0769","","","0.2012","0.2476","","","","","","1.012","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311222","22.1371","0.0004","6.1079","0.0001","22.0796","0.0005","90","","113.219","0.002","90","","2743.6","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Cycloheptylidene-N-phenylhydrazinecarbothioamide","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C112 H152 N24 S8 -","8","1","BT6964","Akkurt, Mehmet; Mohamed, Shaaban K.; Mague, Joel T.; Hassan, Alaa A.; Albayati, Mustafa R.","2-Cyclo-heptyl-idene-N-phenyl-hydrazine-carbo-thio-amide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o359","","10.1107/S1600536814003948","","","1.54178","CuKα","","0.0334","0.03","","","0.0745","0.0771","","","","","","1.065","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311223","9.9684","0.0002","9.9657","0.0002","16.9818","0.0003","90","","105.929","0.0006","90","","1622.23","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl (2Z)-2-{(2Z)-3-[(cyclopentylidene)amino]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene}acetate","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C68 H68 N12 O12 S4 -","4","1","GK2605","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","Methyl (2Z)-2-{(2Z)-3-[(cyclo-pentyl-idene)amino]-4-oxo-2-phenyl-imino-1,3-thia-zol-idin-5-yl-idene}acetate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o366","7","10.1107/S1600536814004048","","","1.54178","CuKα","","0.0309","0.0291","","","0.0743","0.0754","","","","","","1.079","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311224","9.2637","0.0006","11.4091","0.0005","23.331","0.0015","90","","96.93","0.005","90","","2447.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[3-(Morpholin-4-yl)propyl]-4-(3-nitrophenyl)spiro[azetidine-3,9'-xanthen]-2-one","","- C28 H27 N3 O5 -","- C28 H27 N3 O5 -","- C112 H108 N12 O20 -","4","1","SJ5392","Celik, Ismail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık","1-[3-(Morpholin-4-yl)prop-yl]-4-(3-nitro-phen-yl)spiro-[azetidine-3,9'-xanthen]-2-one.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o369","70","10.1107/S160053681400419X","","","0.71073","MoKα","","0.0915","0.0407","","","0.0807","0.0932","","","","","","0.878","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311225","9.7078","0.0006","9.7134","0.0006","11.1061","0.0007","67.981","0.0009","88.84","0.0009","85.984","0.0009","968.47","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene)acetate","","- C22 H19 N3 O3 S -","- C22 H19 N3 O3 S -","- C44 H38 N6 O6 S2 -","2","1","BT6966","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-yl-idene}-1,3-thia-zolidin-5-yl-idene)acetate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 4","o436","7","10.1107/S1600536814005285","","","0.71073","MoKα","","0.0466","0.0395","","","0.097","0.1036","","","","","","1.045","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311226","11.478","0.0012","12.0452","0.0012","17.0439","0.0017","90","","101.306","0.0014","90","","2310.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Phenyl-1,2,4-triazaspiro[4.4]non-1-ene-3-thione","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C96 H104 N24 S8 -","8","1","RZ5108","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","4-Phenyl-1,2,4-tri-aza-spiro-[4.4]non-1-ene-3-thione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 4","o433","4","10.1107/S1600536814005418","","","0.71073","MoKα","","0.0807","0.0588","","","0.1489","0.168","","","","","","1.052","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311227","21.889","0.0017","5.7384","0.0004","16.6941","0.0013","90","","90","","90","","2096.9","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-((1E)-1-{2-[(2Z)-3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)pyridin-1-ium bromide monohydrate","","- C22 H21 Br N4 O S -","- C22 H21 Br N4 O S -","- C88 H84 Br4 N16 O4 S4 -","4","1","XU5779","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","2-((1E)-1-{2-[(2Z)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)pyridin-1-ium bromide monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 4","o478","9","10.1107/S1600536814006229","","","0.71073","MoKα","","0.0311","0.0265","","","0.0587","0.0602","","","","","","1.047","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311228","8.1662","0.0009","15.0229","0.0016","16.2889","0.0019","90","","93.903","0.006","90","","1993.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl ({[(4E)-1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene]amino}oxy)acetate","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","RK2422","Mohandas, T.; Pillai, M. Velayutham; Vidhyasagar, T.; Pasupathy, A.; Sakthivel, P.","Methyl ({[(4E)-1,3-dimethyl-2,6-di-phenyl-piperidin-4-yl-idene]amino}-oxy)acetate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o513","","10.1107/S1600536814006667","","","0.71073","MoKα","","0.0979","0.0713","","","0.1989","0.2139","","","","","","1.058","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311229","7.5574","0.0015","8.2683","0.0019","9.0056","0.0015","73.01","0.018","69.698","0.017","66.51","0.02","476.22","0.18","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(nicotinamide-κN^1^)bis(thiocyanato-κN)nickel(II)","","- C14 H16 N6 Ni O4 S2 -","- C14 H16 N6 Ni O4 S2 -","- C14 H16 N6 Ni O4 S2 -","1","0.5","HY2643","Pandey, Deepanjali; Narvi, Shahid S.; Mehrotra, Gopal K.; Butcher, Raymond J.","Di-aqua-bis-(nicotinamide-κN (1))bis-(thio-cyanato-κN)nickel(II).","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","m183","","10.1107/S1600536814006771","","","0.71073","MoKα","","0.0714","0.0462","","","0.1105","0.1248","","","","","","1.031","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311230","7.3997","0.0002","7.579","0.0001","11.4657","0.0002","93.022","0.0009","105.453","0.0009","104.707","0.0008","594.45","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-{[(Z)-Cyclopentylidene]amino}-3-phenylthiourea","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C24 H30 N6 S2 -","2","1","SJ5395","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","1-{[(Z)-Cyclo-pentyl-idene]amino}-3-phenyl-thio-urea.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o515","","10.1107/S1600536814007028","","","1.54178","CuKα","","0.0505","0.0395","","","0.0908","0.0969","","","","","","1.03","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311231","9.1016","0.0007","7.5298","0.0006","22.1242","0.0016","90","","93.908","0.003","90","","1512.7","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","1","CV5447","Vinutha, N.; Kumar, S. Madan; Shobhitha, S.; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","5-(4-Chloro-phen-oxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o560","","10.1107/S1600536814007879","","","1.54178","CuKα","","0.0415","0.039","","","0.1028","0.1051","","","","","","1.034","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311232","6.5703","0.0002","8.6166","0.0002","16.3411","0.0004","90","","98.685","0.0009","90","","914.52","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N'-[(E)-2-Chlorobenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H19 Cl N2 O2 -","- C21 H19 Cl N2 O2 -","- C42 H38 Cl2 N4 O4 -","2","1","SJ5398","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.","N'-[(E)-2-Chloro-benzyl-idene]-2-(6-meth-oxy-naphthalen-2-yl)propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o631","2","10.1107/S1600536814008629","","","1.54178","CuKα","","0.0276","0.026","","","0.0625","0.0635","","","","","","1.053","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311233","4.616","0.0005","12.8664","0.0015","23.681","0.003","90","","92.676","0.0017","90","","1404.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-N'-[(E)-2-chlorobenzylidene]benzohydrazide monohydrate","","- C14 H12 Cl2 N2 O2 -","- C14 H12 Cl2 N2 O2 -","- C56 H48 Cl8 N8 O8 -","4","1","RZ5119","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.","4-Chloro-N'-[(E)-2-chloro-benzyl-idene]benzohydrazide monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o612","","10.1107/S1600536814008885","","","0.71073","MoKα","","0.061","0.0388","","","0.0851","0.0971","","","","","","1.024","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311234","12.414","0.003","7.967","0.002","10.994","0.003","90","","112.235","0.011","90","","1006.5","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitrobenzyl methanesulfonate","","- C8 H9 N O5 S -","- C8 H9 N O5 S -","- C32 H36 N4 O20 S4 -","4","1","HB7217","Anuradha, Venkatramu; Madan Kumar, S.; Siddaraju, B. P.; Lokanath, N. K.; Nagendra, P.","2-Nitro-benzyl methane-sulfonate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o616","","10.1107/S160053681400899X","","","1.54178","CuKα","","0.0475","0.0452","","","0.1098","0.1117","","","","","","1.08","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311235","9.0578","0.0005","9.1324","0.0005","9.4637","0.0005","88.294","0.0008","79.069","0.0007","61.664","0.0006","674.89","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Phenyl-1,2,4-triazaspiro[4.6]undec-1-ene-3-thione","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C28 H34 N6 S2 -","2","1","HG5394","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","4-Phenyl-1,2,4-tri-aza-spiro-[4.6]undec-1-ene-3-thione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o640","","10.1107/S1600536814009817","","","0.71073","MoKα","","0.0407","0.0359","","","0.0913","0.0963","","","","","","1.043","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311236","26.7145","0.0014","26.7145","0.0014","10.116","0.0005","90","","90","","90","","7219.4","0.6","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","N-(2-{N'-[(1E)-2-Hydroxybenzylidene]hydrazinecarbonyl}phenyl)benzamide","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C336 H272 N48 O48 -","16","1","XU5789","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.","A new polymorph of N-(2-{N'-[(1E)-2-hy-droxy-benzyl-idene]hydrazinecarbon-yl}phen-yl)benzamide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o645","6","10.1107/S1600536814010010","","","0.71073","MoKα","","0.0681","0.0456","","","0.0938","0.1074","","","","","","1.04","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311237","7.5987","0.0012","12.3017","0.0019","13.786","0.002","68.076","0.0017","88.154","0.0018","72.654","0.0018","1136.5","0.3","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","(Z)-1-[(2E)-3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinium bromide","","- C23 H20 Br N3 O S -","- C23 H20 Br N3 O S -","- C46 H40 Br2 N6 O2 S2 -","2","1","TK5311","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","(Z)-1-[(2E)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazinium bromide including an unknown solvate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o647","8","10.1107/S1600536814010125","","","0.71073","MoKα","","0.0949","0.0576","","","0.1372","0.1565","","","","","","1.008","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311238","14.7307","0.0003","15.4874","0.0003","13.6541","0.0003","90","","107.11","0.002","90","","2977.18","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(3-Bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,6-diphenyl-3,4,9,10-tetrahydroacridine-1,8(2H,5H)-dione","","- C33 H27 Br Cl N O4 -","- C33 H27 Br Cl N O4 -","- C132 H108 Br4 Cl4 N4 O16 -","4","1","HG5395","Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Gaber, Abdel-Aal M; Albayati, Mustafa R.","9-(3-Bromo-5-chloro-2-hy-droxy-phen-yl)-10-(2-hy-droxy-eth-yl)-3,6-diphenyl-3,4,9,10-tetra-hydro-acridine-1,8(2H,5H)-dione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o663","4","10.1107/S1600536814010460","","","0.71073","MoKα","","0.1177","0.0499","","","0.135","0.147","","","","","","0.921","","","","has coordinates,has disorder","245711","2020-10-21","18:00:00","" "2311239","15.3215","0.0004","14.4905","0.0004","17.5457","0.0005","90","","104.667","0.001","90","","3768.49","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis(chlorido{N'-[phenyl(pyridin-2-yl-κN)methylidene]pyridine-2-carbohydrazide-κ^2^N',O}cadmium)","","- C36 H28 Cd2 Cl4 N8 O2 -","- C36 H28 Cd2 Cl4 N8 O2 -","- C144 H112 Cd8 Cl16 N32 O8 -","4","1","RZ5124","Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Afkhami, Farhad Akbari; Yazdi, Seyed Abolfazl Hosseini","Di-μ-chlorido-bis-(chlorido-{N'-[phen-yl(pyridin-2-yl-κN)methyl-idene]pyridine-2-carbohydrazide-κ(2) N',O}cadmium).","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","m213","4","10.1107/S1600536814010630","","","0.71073","MoKα","","0.0951","0.0438","","","0.069","0.0826","","","","","","0.981","","","","has coordinates","245712","2020-10-21","18:00:00","" "2311240","9.3499","0.0007","9.3601","0.0008","15.2707","0.0015","104.007","0.008","99.366","0.007","107.862","0.007","1192.9","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","Ethyl 5-oxo-4-phenyl-5,6-dihydro-4H-1,3,4-oxadiazine- 2-carboxylate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","2","IS5362","Shubakara, K.; Chandra, ?; Srikantamurthy, N.; Mahendra, M.; Umesha, K. B.","Ethyl 5-oxo-4-phenyl-5,6-di-hydro-4H-1,3,4-oxadiazine-2-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o661","","10.1107/S1600536814011106","","","0.71073","MoKα","","0.1011","0.0539","","","0.1334","0.177","","","","","","1.033","","","","has coordinates","245713","2020-10-21","18:00:00","" "2311241","11.6022","0.0006","10.159","0.0005","12.2368","0.0006","90","","112.853","0.002","90","","1329.1","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-bromobenzyl) ether","","- C14 H12 Br2 O -","- C14 H12 Br2 O -","- C56 H48 Br8 O4 -","4","1","HB7230","Anuradha, Venkatramu; Nagendra, P.; Madan Kumar, S.; Siddaraju, B. P.; Lokanath, N. K.","Bis(2-bromo-benz-yl) ether.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o765","","10.1107/S1600536814011738","","","1.54178","CuKα","","0.077","0.0725","","","0.1863","0.1924","","","","","","1.069","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311242","8.4488","0.0012","11.5605","0.0017","14.642","0.002","90","","91.565","0.002","90","","1429.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Oxo-N',2-diphenyl-2,3-dihydro-1H-pyrazole-4-carbohydrazide","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","BT6982","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Eman A.; Albayati, Mustafa R.","3-Oxo-N',2-diphenyl-2,3-di-hydro-1H-pyrazole-4-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o819","20","10.1107/S1600536814012392","","","0.71073","MoKα","","0.0569","0.0428","","","0.1003","0.1124","","","","","","1.026","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311243","6.2091","0.0009","13.1804","0.0019","17.391","0.003","90","","90","","90","","1423.3","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4'-Phenyl-3,4-dihydro-2H-spiro[naphthalene-1,3'-[1,2,4]triazole]-5'-thione","","- C17 H15 N3 S -","- C17 H15 N3 S -","- C68 H60 N12 S4 -","4","1","XU5795","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","4'-Phenyl-3,4-di-hydro-2H-spiro-[naph-tha-lene-1,3'-[1,2,4]triazole]-5'-thione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o740","1","10.1107/S1600536814012409","","","0.71073","MoKα","","0.04","0.0352","","","0.0815","0.0851","","","","","","1.04","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311244","9.0806","0.0012","9.2444","0.0012","10.7856","0.0014","101.843","0.002","100.175","0.0019","105.948","0.0019","825.48","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[({[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]carbamoyl}methyl)sulfanyl]acetate monohydrate","","- C13 H18 N4 O4 S2 -","- C13 H18 N4 O4 S2 -","- C26 H36 N8 O8 S4 -","2","1","SJ5406","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Ethyl 2-[({[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]carbamo-yl}meth-yl)sulfan-yl]acetate monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o745","6","10.1107/S1600536814012495","","","0.71073","MoKα","","0.042","0.037","","","0.0948","0.0994","","","","","","1.053","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311245","9.2292","0.0009","9.8117","0.001","25.347","0.002","90","","90","","90","","2295.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(Trifluoromethyl)phenyl]-1H-benzimidazole","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","1","LH5706","Krishnamurthy, M. S.; Begum, Noor Shahina","2-[4-(Tri-fluoro-meth-yl)phen-yl]-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o760","","10.1107/S1600536814012963","","","0.71073","MoKα","","0.0911","0.0563","","","0.1365","0.1591","","","","","","0.898","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311246","5.2732","0.0007","21.028","0.003","11.9777","0.0016","90","","93.969","0.002","90","","1325","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4,6-Triamino-N-phenylthieno[2,3-b]pyridine-2-carboxamide","","- C14 H13 N5 O S -","- C14 H13 N5 O S -","- C56 H52 N20 O4 S4 -","4","1","HB7235","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hussein, Bahgat R. M.; Albayati, Mustafa R.","3,4,6-Tri-amino-N-phenyl-thieno[2,3-b]pyridine-2-carboxamide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o805","","10.1107/S1600536814013981","","","0.71073","MoKα","","0.0447","0.0372","","","0.0946","0.1011","","","","","","1.062","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311247","4.1054","0.0003","12.0509","0.0008","22.9972","0.0019","90","","91.087","0.006","90","","1137.55","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-{[(Morpholin-4-yl)imino]methyl}benzonitrile","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","SU2744","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık","(E)-4-{[(Morpholin-4-yl)imino]-meth-yl}benzo-nitrile.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o799","","10.1107/S1600536814014020","","","0.71073","MoKα","","0.1852","0.0631","","","0.0702","0.0942","","","","","","0.889","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311248","7.6396","0.0003","9.9106","0.0004","11.9263","0.0004","103.166","0.002","104.713","0.002","103.308","0.002","809.66","0.06","273","2","273","2","","","","","","","","3","P -1","-P 1","2","chalcone","(E)-1-([1,1'-Biphenyl]-4-yl)-3-(2-methylphenyl)prop-2-en-1-one","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","JJ2188","Shanthi, D.; Vidhya Sagar, T.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.","(E)-1-([1,1'-Biphen-yl]-4-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o809","10","10.1107/S1600536814014317","","","0.71073","MoKα","","0.0681","0.0482","","","0.1346","0.1511","","","","","","1.055","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311249","9.7068","0.0008","10.3836","0.0009","14.2041","0.0011","73.739","0.006","75.922","0.006","63.107","0.006","1214.33","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-[3-(Morpholin-4-yl)propyl]-3-[(naphthalen-2-yl)oxy]-4-(3-nitrophenyl)azetidin-2-one","","- C26 H27 N3 O5 -","- C26 H27 N3 O5 -","- C52 H54 N6 O10 -","2","1","HG5396","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık","1-[3-(Morpholin-4-yl)prop-yl]-3-[(naph-tha-len-2-yl)oxy]-4-(3-nitro-phen-yl)azeti-din-2-one.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 8","o833","4","10.1107/S1600536814014949","","","0.71073","MoKα","","0.1444","0.0664","","","0.1424","0.1758","","","","","","0.946","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311250","5.0716","0.0005","20.939","0.0012","20.1516","0.0018","90","","96.457","0.007","90","","2126.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2,4-Dichlorophenoxy)-1-(4-methoxybenzyl)-4-(4-nitrophenyl)azetidin-2-one","","- C23 H18 Cl2 N2 O5 -","- C23 H18 Cl2 N2 O5 -","- C92 H72 Cl8 N8 O20 -","4","1","SU2747","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık","3-(2,4-Di-chloro-phen-oxy)-1-(4-meth-oxy-benz-yl)-4-(4-nitro-phen-yl)azetidin-2-one.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 8","o835","6","10.1107/S1600536814015013","","","0.71073","MoKα","","0.1166","0.0416","","","0.0502","0.061","","","","","","0.847","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311251","8.306","0.0004","10.5048","0.0006","17.9795","0.0009","90","","100.598","0.005","90","","1542","0.14","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-3-(4-methoxyphenyl)-3-(methylsulfanyl)acrylonitrile","","- C17 H14 Cl N O S -","- C17 H14 Cl N O S -","- C68 H56 Cl4 N4 O4 S4 -","4","1","SU2787","Kumar, Shamantha; Hosamani, Amar A.; Vinayaka, A. C.; Sadashiva, M. P.; Doreswamy, B. H.","Crystal structure of 2-(4-chloro-phen-yl)-3-(4-meth-oxy-phen-yl)-3-(methyl-sulfanyl)-acrylo-nitrile.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 11","o1155","","10.1107/S1600536814021576","","","0.71073","MoKα","","0.0602","0.0455","","","0.1041","0.1138","","","","","","1.037","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311252","9.4358","0.0005","10.7862","0.0006","20.2246","0.0011","90","","92.159","0.001","90","","2056.93","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(3-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C23 H18 F2 N2 O3 S -","- C23 H18 F2 N2 O3 S -","- C92 H72 F8 N8 O12 S4 -","4","1","LH5711","Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-(3-fluoro-phen-yl)-2-[(4-fluoro-phen-yl)methyl-idene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 11","o1187","8","10.1107/S1600536814023010","","","0.71073","MoKα","","0.0474","0.0401","","","0.1003","0.104","","","","","","1.062","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311253","8.281","0.003","9.68","0.004","12.821","0.005","76.423","0.01","86.308","0.01","74.641","0.011","963.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Acetyl-5-(3-methoxy-phenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C40 H44 N4 O8 S2 -","2","1","LH5730","Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 11","o1204","","10.1107/S1600536814023162","","","0.71073","MoKα","","0.1281","0.066","","","0.1492","0.1727","","","","","","0.925","","","","has coordinates,has disorder","301809","2025-08-19","19:04:03","" "2311254","5.961","0.003","13.374","0.007","20.349","0.011","79.034","0.01","84.831","0.01","85.123","0.01","1582.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(2,4-Dimethylphenyl)-2-(4-trimethylsilyl-1H-1,2,3-triazol-1-yl)ethanone","","- C15 H21 N3 O Si -","- C15 H21 N3 O Si -","- C60 H84 N12 O4 Si4 -","4","2","HB7308","Venkatesh, G. B.; Nagarajaiah, H.; Prasad, N. L.; HariPrasad, S.; Begum, Noor Shahina","Crystal structure of 1-(2,4-di-methyl-phen-yl)-2-(4-tri-methyl-silyl-1H-1,2,3-triazol-1-yl)ethanone.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 12","o1253","","10.1107/S1600536814024313","","","0.71073","MoKα","","0.2181","0.0918","","","0.186","0.268","","","","","","1.03","","","","has coordinates","301809","2025-08-19","19:04:03","" "2311255","24.746","0.005","9.6879","0.0017","16.757","0.003","90","","92.022","0.005","90","","4014.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(2-Fluorobenzylidene)-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C23 H18 F2 N2 O3 S -","- C23 H18 F2 N2 O3 S -","- C184 H144 F16 N16 O24 S8 -","8","1","LH5738","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 2-(2-fluoro-benzyl-idene)-5-(4-fluoro-phen-yl)-7-methyl-3-oxo-2,3-di-hydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carb-oxy-late.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 12","o1270","1","10.1107/S1600536814025008","","","0.71073","MoKα","","0.0456","0.041","","","0.1067","0.1122","","","","","","1.028","","","","has coordinates","301809","2025-08-19","19:04:03",""