Crystallography Open Database

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2007179 CIF
Paper
C18 H27 Cu N3 O3 SP 4312.1747; 12.1747; 13.791
90; 90; 90
2044.1Warda, Salam A.
An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C, 1998, 54, 460-462
2008451 CIF
Paper
C9 H8 N2 SP 4312.105; 12.105; 5.776
90; 90; 90
846.4Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés
2-Amino-4-phenylthiazole
Acta Crystallographica Section C, 1999, 55, 821-823
2009418 CIF
Paper
C10 H16 O6P 4312.4; 12.4; 7.102
90; 90; 90
1092Kopf, Jürgen; Abeln, Dirk; Köll, Peter
Structure of isopropylidene sedoheptulosan
Acta Crystallographica Section C, 1994, 50, 83-85
2010963 CIF
HKL
Paper
C23 H29 N O11P 4314.381; 14.381; 12.265
90; 90; 90
2536.6Kani, Yoshiyuki; Ohba, Shigeru; Oishi, Takeshi; Ando, Koji; Inomiya, Kenjin; Chida, Noritaka
(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Benzyloxymethyl-4-(methoxymethyloxy)-9-oxo-8-oxa-1-azabicyclo[4.3.0]nonane-2,3,5-triyl triacetate
Acta Crystallographica Section C, 2000, 56, e223-e223
2012725 CIF
HKL
Paper
C40 H44 Cu2 N4 O4P 4313.3288; 13.3288; 20.5834
90; 90; 90
3656.78Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko
Enantiomeric bis(μ-<i>N</i>,<i>N</i>'-hexamethylenedisalicylaldiminato)dicopper(II) complexes
Acta Crystallographica Section C, 2002, 58, m313-m315
2016999 CIF
HKL
Paper
C30 H50 OP 4319.1006; 19.1006; 7.2128
90; 90; 90
2631.5Corrêa, Rodrigo S.; Coelho, Carla P.; dos Santos, Marcelo H.; Ellena, Javier; Doriguetto, Antônio C.
Lupeol
Acta Crystallographica Section C, 2009, 65, o97-o99
2018150 CIF
HKL
Paper
C18 H15 N3 O4 ZnP 438.4243; 8.4243; 25.6975
90; 90; 90
1823.72Han, Lei; Xu, Lan-Ping; Zhao, Wen-Na
A chiral interdigitated supramolecular network assembled from single-stranded helical tubes
Acta Crystallographica Section C, 2011, 67, m227-m229
2022083 CIF
HKL
Paper
C6 H10 Cu2 N4 OP 438.8994; 8.8994; 11.375
90; 90; 90
900.89Koenigsmann, Christopher; Rachid, Leena N.; Sheedy, Christina M.; Corfield, Peter W. R.
Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated <i>N</i>-methylethanolamine as the guest cation
Acta Crystallographica Section C, 2020, 76
2022376 CIF
HKL
Paper
C32 H24 Cd N4 O5P 4310.6631; 10.6631; 25.203
90; 90; 90
2865.6Wu, Ji-Pei; Cheng, Yi-Chuan; Lu, Lei; Wang, Jun; Qiao, Shan-Bao
A fourfold interpenetrating three-dimensional cadmium(II) coordination polymer: synthesis, crystal structure and physical properties
Acta Crystallographica Section C, 2021, 77, 257-261
2022983 CIF
HKL
Paper
C20 H18 N2 SP 437.74413; 7.74413; 53.4131
90; 90; 90
3203.27Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Shelukho, Evgeniya R.; Polyanskaya, Darya K.; Khrustalev, Victor N.; Akkurt, Mehmet; Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1<i>H</i>-pyrrol-2-yl)methyl]thiophene.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 72-77
2100924 CIF
Paper
C6 H14 N2 O6P 434.938; 4.938; 36.907
90; 90; 90
899.9André, C.; Luger, P.; Fuhrhop, J.-H.; Rosengarten, B.
Molecular recognition in polyols: the structure of <small>L</small>-mannonic acid hydrazide revealing a common packing motif in different acyclic sugars
Acta Crystallographica Section B, 1993, 49, 375-382
2102238 CIF
Paper
C20 H42 Ba N10 O15 S2P 4321.6978; 21.6978; 7.4057
90; 90; 90
3486.56Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher
Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding
Acta Crystallographica Section B, 2004, 60, 46-64
2103791 CIF
Paper
C15 Br O2P 4313.75; 13.75; 7.319
90; 90; 90
1383.7Clemente, Dore Augusto; Marzotto, Armando
22 Space-group changes
Acta Crystallographica Section B, 2003, 59, 43-50
2103792 CIF
Paper
C17 H20 N O5 VP 439.717; 9.717; 18.217
90; 90; 90
1720Clemente, Dore Augusto; Marzotto, Armando
22 Space-group changes
Acta Crystallographica Section B, 2003, 59, 43-50
2104335 CIF
HKL
Paper
Ca O3 TeP 4312.107; 12.107; 11.0911
90; 90; 90
1625.7Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald
Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~
Acta Crystallographica Section B, 2009, 65, 167-181
2104369 CIF
HKL
Paper
C18 H24 N5 O2 P3 S2P 4311.4899; 11.4899; 16.7827
90; 90; 90
2215.62Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem
Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography
Acta Crystallographica Section B, 2009, 65, 355-362
2202608 CIF
HKL
Paper
C10 H18 Br2 N2 O2 ZnP 437.496; 7.496; 27.941
90; 90; 90
1570Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard
<i>catena</i>-Poly[[dibromozinc(II)]-μ-(<i>R,R</i>)-1,2-diacetamidocyclohexane]
Acta Crystallographica Section E, 2003, 59, m574-m575
2203283 CIF
HKL
Paper
C17 H19 Fe N O3P 4311.4599; 11.4599; 11.6864
90; 90; 90
1534.77Štěpnička, Petr; Císařová, Ivana
(<i>S,S</i>~<i>p~</i>)-2-[4-(1-Methylethyl)-4,5-dihydrooxazol-1-yl]ferrocenecarboxylic acid
Acta Crystallographica Section E, 2004, 60, m288-m290
2203690 CIF
HKL
Paper
C14 H14 N8 Ni O2P 438.2766; 8.2766; 23.648
90; 90; 90
1619.9Jian Zhou; Zhen-Feng Chen; Xian-Wen Wang; Yan-Shu Tan; Hong Liang; Yong Zhang
Bis(2-formylpyridine semicabazonato)nickel(II)
Acta Crystallographica Section E, 2004, 60, m568-m570
2204733 CIF
HKL
Paper
C6 H14 Ag N3 O3P 436.706; 6.706; 21.834
90; 90; 90
981.9You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng
<i>catena</i>-Poly[[aquanitritosilver(I)]-μ-1,4-diazabicyclo[2,2,2]octane-κ^2^<i>N:N</i>']
Acta Crystallographica Section E, 2004, 60, m1744-m1746
2204981 CIF
HKL
Paper
C13 H17 N O2 PdP 4310.5872; 10.5872; 11.9509
90; 90; 90
1339.6Calmuschi, Beatrice; Englert, Ulli
(<i>S</i>)-(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)
Acta Crystallographica Section E, 2005, 61, m164-m165
2204982 CIF
HKL
Paper
C13 H9 F6 N O2 PdP 4310.951; 10.951; 12.442
90; 90; 90
1492.1Calmuschi, Beatrice; Englert, Ulli
(<i>S</i>)-[2-(1-Aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')palladium(II)
Acta Crystallographica Section E, 2005, 61, m166-m167
2205274 CIF
HKL
Paper
C12 H14 O4P 438.824; 8.824; 27.733
90; 90; 90
2159.4Jun, Wang; Hua-Rong Huang; Xiao-Long Feng; Yong-Cheng Lin; Shi-Ning Zhou
3,4-Dihydro-8-hydroxy-3,5-dimethyl-7-methoxyisocoumarin (avicennin B)
Acta Crystallographica Section E, 2005, 61, o784-o785
2205781 CIF
HKL
Paper
C20 H19 Br Cl N OP 438.2117; 8.2117; 27.44
90; 90; 90
1850.3Hui Guo; Yong-Bin Gao; Jie Han; Ji-Ben Meng
8-Bromo-6-chloro-1',3',3',5'-tetramethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]
Acta Crystallographica Section E, 2005, 61, o1461-o1462
2205984 CIF
HKL
Paper
C19 H28 Mn N2 Na O6P 4310.8281; 10.8281; 19.043
90; 90; 90
2232.7Berggren, Gustav; Anderlund, Magnus F.; Magnuson, Ann; Åkermark, Björn; Eriksson, Lars
Sodium [1,2-bis(2-methyl-2-oxopropanamido)benzene](tetrahydrofuran)manganese(III) methanol solvate
Acta Crystallographica Section E, 2005, 61, m1169-m1171
2206815 CIF
HKL
Paper
C33 H53 N O2P 4315.822; 15.822; 12.844
90; 90; 90
3215.3Zeng, Tao; Shu, Xue-Gui; Dong, Chuan-Ming; Chen, Li-Gong
<i>N</i>,<i>N</i>-Bis(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)-<i>N</i>-propylamine
Acta Crystallographica Section E, 2005, 61, o2999-o3000
2208719 CIF
HKL
Paper
C22 H25 N3 O3P 438.7795; 8.7795; 26.02
90; 90; 90
2005.6Wang, Feng-Wu; Jiao, Rui-Hua; Tan, Ren-Xiang; Zhu, Hai-Liang; Tiekink, Edward R. T.
1,2,3,5a,6,11,12,14a-Octahydro-9-methoxy-12-(2-methylprop-1-enyl)-5<i>H</i>,14<i>H</i>-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-<i>b</i>]indole-5,14-dione
Acta Crystallographica Section E, 2006, 62, o1375-o1377
2210180 CIF
HKL
Paper
C8 H11 N3 O3P 4316.887; 16.887; 13.332
90; 90; 90
3802Koziol, Anna E.; Lis, Tadeusz; Kolodziejczyk, Edyta; Kusakiewicz-Dawid, Anna; Rzeszotarska, Barbara
Ethyl 1-acetyl-3-amino-1<i>H</i>-pyrazole-4-carboxylate, a tetragonal structure with <i>Z</i>' = 4
Acta Crystallographica Section E, 2006, 62, o3664-o3666
2212116 CIF
HKL
Paper
C15 H9 Cl5 N2 O2 SP 437.958; 7.958; 29.249
90; 90; 90
1852.3Qian-Jin Li; Chun-Long Yang; Xue-Qun Xie
<i>N</i>-(2,4-Dichlorophenoxyacetyl)-<i>N</i>'-(2,4,6-trichlorophenyl)thiourea
Acta Crystallographica Section E, 2007, 63, o773-o774
2212538 CIF
HKL
Paper
C17 H30 N2 O3P 4310.167; 10.167; 16.7997
90; 90; 90
1736.55Aouadi, Kaiss; Jeanneau, Erwann; Praly, Jean-Pierre
(1<i>S</i>,2<i>R</i>,2'<i>S</i>,3'a<i>S</i>,5<i>R</i>)-2'-[(1<i>S</i>)-1-Hydroxyethyl]-2-isopropyl-5,5'-dimethyl-3',3'a-dihydro-2'<i>H</i>-spiro[cyclohexane-1,6'-imidazo[1,5-<i>b</i>]isoxazol]-4'(5'<i>H</i>)-one
Acta Crystallographica Section E, 2007, 63, o1324-o1326
2212965 CIF
HKL
Paper
C27 H42 N4 O6P 4313.1585; 13.1585; 15.847
90; 90; 90
2743.8Guzei, Ilia A.; Spencer, Lara C.; Lin, Qi; Blackwell, Helen E.
<i>N</i>-{(Aminocarbonyl)[(<i>S</i>)-4-nitrobenzyl]methyl}-<i>N</i>-{[(<i>R</i>)-cyclohexyl](cyclohexylaminocarbonyl)methyl}propanamide methanol solvate
Acta Crystallographica Section E, 2007, 63, o1892-o1894
2214533 CIF
HKL
Paper
C8 H7 Cl N2 O3P 434.999; 4.999; 35.876
90; 90; 90
896.5B. Thimme Gowda; Sabine Foro; Hartmut Fuess
2-Chloro-<i>N</i>-(3-nitrophenyl)acetamide
Acta Crystallographica Section E, 2007, 63, o3364-o3364
2217119 CIF
HKL
Paper
C18 H16 N4 OP 438.019; 8.019; 24.147
90; 90; 90
1552.8Yongqi Qin; Fangfang Jian; Hailian Xiao; Jing Zhang
(<i>E</i>)-5-Phenyl-<i>N</i>'-(1-phenylethylidene)-1<i>H</i>-pyrazole-3-carbohydrazide
Acta Crystallographica Section E, 2008, 64, o320-o320
2217615 CIF
HKL
Paper
C15 H15 N OP 438.931; 8.931; 15.816
90; 90; 90
1261.5B. Thimme Gowda; Sabine Foro; B. P. Sowmya; Hartmut Fuess
2-Methyl-<i>N</i>-(3-methylphenyl)benzamide
Acta Crystallographica Section E, 2008, 64, o541-o541
2218216 CIF
HKL
Paper
C14 H12 Cl N OP 438.8237; 8.8237; 15.977
90; 90; 90
1243.9Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut
<i>N</i>-(3-Chlorophenyl)-2-methylbenzamide
Acta Crystallographica Section E, 2008, 64, o861
2218486 CIF
HKL
Paper
C11 H16 N2 O2P 4310.8251; 10.8251; 9.4569
90; 90; 90
1108.2Zhao, Qing-Jie; Liu, Zheng; Zheng, Jin; Shen, Jing-Shan
4-Acetyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-benzodiazepine
Acta Crystallographica Section E, 2008, 64, o969
2224601 CIF
HKL
Paper
C13 H16 N2 OP 439.4691; 9.4691; 13.8514
90; 90; 90
1242Ju, Xiuping; Qiao, Yan; Gao, Zhiqing; Kong, Lingqian
<i>N</i>'-Cyclohexylidenebenzohydrazide
Acta Crystallographica Section E, 2010, 66, o94
2225196 CIF
HKL
Paper
C18 H15 N3 O2P 439.6163; 9.6163; 17.442
90; 90; 90
1612.9Li, Cong; Wang, Ping; Su, Yong-Qing
<i>N</i>'-(2-Methoxy-1-naphthylidene)nicotinohydrazide
Acta Crystallographica Section E, 2010, 66, o520
2225197 CIF
HKL
Paper
C14 H13 N3 O2P 439.3264; 9.3264; 15.594
90; 90; 90
1356.4Wang, Ping; Li, Cong; Su, Yong-Qing
<i>N</i>'-(2-Methoxybenzylidene)nicotinohydrazide
Acta Crystallographica Section E, 2010, 66, o542
2225582 CIF
HKL
Paper
C11 H10 N2 O2 SP 438.8037; 8.8037; 14.67
90; 90; 90
1137Jiang, Jin-He
<i>N</i>'-[(5-Methyl-2-furyl)methylene]thiophene-2-carbohydrazide
Acta Crystallographica Section E, 2010, 66, o924
2226053 CIF
HKL
Paper
C8 H9 N O3 SP 437.94; 7.94; 15.288
90; 90; 90
963.81Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
<i>N</i>-(Phenylsulfonyl)acetamide
Acta Crystallographica Section E, 2010, 66, o1284
2226430 CIF
HKL
Paper
C20 H30 O2P 4312.8697; 12.8697; 21.768
90; 90; 90
3605.4Suwancharoen, Sunisa; Tommeurd, Wantanee; Phurat, Chuttree; Muangsin, Nongnuj; Pornpakakul, Surachai
Acanthoic acid
Acta Crystallographica Section E, 2010, 66, o1531
2227996 CIF
HKL
Paper
C8 H12 O3P 436.8531; 6.8531; 17.372
90; 90; 90
815.9Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.
4-Oxocyclohexaneacetic acid: catemeric hydrogen bonding and spontaneous resolution of a single conformational enantiomer in an achiral ε-keto acid
Acta Crystallographica Section E, 2010, 66, o2576-o2577
2229967 CIF
HKL
Paper
C22 H19 Br N2 O SP 4312.2833; 12.2833; 14.002
90; 90; 90
2112.6Nasir, Mohd Faizal Md; Hassan, Ibrahim N.; Wan Daud, Wan Ramli; Yamin, Bohari M.; Kassim, Mohammad B.
2-Bromo-<i>N</i>-(dibenzylcarbamothioyl)benzamide
Acta Crystallographica Section E, 2011, 67, o1218
2230158 CIF
HKL
Paper
C9 H11 N O3 SP 437.9804; 7.9804; 16.749
90; 90; 90
1066.69Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
<i>N</i>-(2-Methylphenylsulfonyl)acetamide
Acta Crystallographica Section E, 2011, 67, o1188
2233073 CIF
HKL
Paper
C36 H45 N3 O11P 4314.232; 14.232; 17.615
90; 90; 90
3567.9Pan, Shaowu; Yang, Dengke; Yang, Yu; Jiang, Lasheng
20,23,26,29,32,35,38,41-Octaoxa-5,9,13-triazapentacyclo[15.14.10.1^3,30^.1^7,11^.1^15,19^]tetratetraconta-1,3(42),7,9,11(44),15(43),16,18,30-nonaene-6,12-dione acetone monosolvate
Acta Crystallographica Section E, 2012, 68, o107
2233280 CIF
HKL
Paper
C33 H26 N6 O2P 4318.1345; 18.1345; 17.1405
90; 90; 90
5636.8Pramanik, Avijit; Russ, Tiffany H.; Powell, Douglas R.; Hossain, Md. Alamgir
3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methylenebis(4,1-phenylene)]diurea
Acta Crystallographica Section E, 2012, 68, o158-o159
2233998 CIF
HKL
Paper
C14 H12 Cl N OP 438.8751; 8.8751; 15.9642
90; 90; 90
1257.46Rodrigues, Vinola Z.; Gowda, B. Thimme; Vrábel, Viktor; Kožíšek, Jozef
2-Chloro-<i>N</i>-(3-methylphenyl)benzamide
Acta Crystallographica Section E, 2012, 68, o723
2237008 CIF
HKL
Paper
C17 H15 Br O3 SP 4310.2785; 10.2785; 15.2899
90; 90; 90
1615.34Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
3-(4-Bromophenylsulfonyl)-5-ethyl-2-methyl-1-benzofuran
Acta Crystallographica Section E, 2012, 68, o3487
2238938 CIF
Paper
As2 O7 Sr2P 437.1089; 7.1089; 25.616
90; 90; 90
1294.54Mbarek, Aicha; Edhokkar, Fadhila
The <i>P</i>4~3~ enantiomorph of Sr~2~As~2~O~7~
Acta Crystallographica Section E, 2013, 69, i84

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