Crystallography Open Database

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2020016 CIF
HKL
Paper
K S2 YbR -3 m :H3.9615; 3.9615; 21.81
90; 90; 120
296.42Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
Acta Crystallographica Section C, 2015, 71, 623-630
2020018 CIF
HKL
Paper
C17 H22 N2 O4 SP -17.9551; 8.878; 13.9793
101.246; 90.5899; 115.42
869.65Pan, Fangfang; Kalf, Irmgard; Englert, Ulli
<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?
Acta Crystallographica Section C, 2015, 71
2020019 CIF
HKL
Paper
C17 H22 N2 O4 SP -17.9881; 8.9052; 14.053
101.185; 90.964; 114.909
884Pan, Fangfang; Kalf, Irmgard; Englert, Ulli
<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?
Acta Crystallographica Section C, 2015, 71
2020020 CIF
HKL
Paper
C17 H22 N2 O4 SP -18.0257; 8.9366; 14.1268
101.023; 91.2751; 114.542
898.78Pan, Fangfang; Kalf, Irmgard; Englert, Ulli
<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?
Acta Crystallographica Section C, 2015, 71
2020021 CIF
HKL
Paper
C12 H13 N3 O3P 1 21/n 17.8881; 14.0296; 20.81
90; 91.749; 90
2301.9Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.
Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides
Acta Crystallographica Section C, 2015, 71
2020022 CIF
HKL
Paper
C12 H12 Cl N3 O3P 1 21/c 115.7925; 13.7715; 11.3887
90; 94.35; 90
2469.8Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.
Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides
Acta Crystallographica Section C, 2015, 71
2020023 CIF
HKL
Paper
C12 H12 Cl N3 O3P 1 21 19.274; 4.1096; 16.104
90; 97.813; 90
608.1Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.
Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides
Acta Crystallographica Section C, 2015, 71
2020024 CIF
HKL
Paper
C13 H13 Cl2 N3 O3P 21 21 219.7273; 7.6749; 9.3882
90; 90; 90
1421.42Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.
Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides
Acta Crystallographica Section C, 2015, 71
2020025 CIF
HKL
Paper
C28 H20 N10 O2C 1 2/c 135.847; 7.3242; 22.995
90; 117.882; 90
5336.5Setifi, Fatima; Geiger, David K.; Abdul Razak, Ibrahim; Setifi, Zouaoui
Multiple N—H···NC, C—H···NC and nitrile···π interactions in 4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): structure determination and DFT calculations of anion···π cation interaction energies
Acta Crystallographica Section C, 2015, 71
2020036 CIF
HKL
Paper
C7 H8 OP 1 21/c 113.4809; 14.3767; 6.2095
90; 95.57; 90
1197.79Seidel, Rüdiger W.; Goddard, Richard
Anisole at 100K: the first crystal structure determination
Acta Crystallographica Section C, 2015, 71
2020037 CIF
HKL
Paper
C7 H10 Cd Cl2 N2 O2P 1 21/c 16.9826; 14.909; 10.417
90; 99.3; 90
1070.2Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng
Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands
Acta Crystallographica Section C, 2015, 71
2020038 CIF
HKL
Paper
C14 H16 Cd N2 O6C 1 2/c 115.338; 6.1963; 20
90; 121.09; 90
1627.7Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng
Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands
Acta Crystallographica Section C, 2015, 71
2020039 CIF
HKL
Paper
C38 H34 Cd2 N6 O8P c a 2121.143; 8.0696; 21.473
90; 90; 90
3663.6Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng
Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands
Acta Crystallographica Section C, 2015, 71
2020040 CIF
HKL
Paper
C41 H40 Cl4 Fe N2 O5P 1 21/n 114.1963; 14.8203; 18.7386
90; 102.663; 90
3846.6Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun
Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction
Acta Crystallographica Section C, 2015, 71
2020041 CIF
HKL
Paper
C38 H36 Fe N2 O2P 1 21/n 113.0787; 14.4271; 16.1873
90; 93.491; 90
3048.68Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun
Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction
Acta Crystallographica Section C, 2015, 71
2020049 CIF
HKL
C23 H31 N5 O12 ZnP 1 21/c 110.174; 20.843; 13.274
90; 100.4; 90
2768.6Huang, Qiu-Ying; Yang, Yi; Meng, Xiang-Ru
A new two-dimensional Zn^II^ coordination polymer constructed by a multidentate N-heterocyclic ligand and 5-carboxybenzene-1,3-dicarboxylate
Acta Crystallographica Section C, 2015, 71
2020050 CIF
HKL
Paper
Hg2 O11 Te2 V2P -15.4; 5.6093; 9.132
80.688; 72.99; 80.08
258.73Weil, Matthias
A linear bridging angle in the pyrovanadate group within the crystal structure of Hg~2~V~2~Te~2~O~11~
Acta Crystallographica Section C, 2015, 71
2020051 CIF
HKL
Paper
C6 H18 Cl Co N6 O4P b c m8.4892; 12.1555; 12.0631
90; 90; 90
1244.8Guzei, Ilia A.; Arderne, Charmaine
Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
Acta Crystallographica Section C, 2015, 71
2020052 CIF
HKL
C6 H18 Cl Co N6 O4P b c a16.7032; 12.0743; 12.0288
90; 90; 90
2425.96Guzei, Ilia A.; Arderne, Charmaine
Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
Acta Crystallographica Section C, 2015, 71
2020053 CIF
HKL
C6 H18 Cl Co N6 O4A 2 1 18.856; 11.95; 11.75
90; 90; 90
1243.5Guzei, Ilia A.; Arderne, Charmaine
Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
Acta Crystallographica Section C, 2015, 71
2020054 CIF
HKL
Paper
C28 H12 Bi2 Cl2 N4 O8P -18.887; 9.118; 10.099
111.034; 115.407; 92.872
669.4Feng, Yu-Quan; Hu, Yu-Long; Wang, Hong-Wei; Cao, Feng-Pu
A new linear bismuth coordination polymer based on 1,10-phenanthroline-2,9-dicarboxylic acid: ionothermal synthesis, crystal structure and fluorescence properties
Acta Crystallographica Section C, 2015, 71
2020055 CIF
HKL
Paper
C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3C 1 2/c 116.4083; 17.639; 21.6604
90; 94.477; 90
6250Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping
Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands
Acta Crystallographica Section C, 2015, 71
2020056 CIF
HKL
Paper
C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4P -111.1554; 11.509; 13.6722
68.55; 81.603; 76.089
1582.6Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping
Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands
Acta Crystallographica Section C, 2015, 71
2020057 CIF
HKL
Paper
C55 H48 Cl6 Cu2 N12 O13 S4P -111.2499; 11.5798; 13.6976
67.635; 81.106; 75.524
1594.3Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping
Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands
Acta Crystallographica Section C, 2015, 71
2020058 CIF
HKL
Paper
C38 H54 K O9P 1 21 19.5274; 15.4463; 12.7366
90; 98.731; 90
1852.6Spisak, Sarah N.; Hoover, Gabrielle C.; Wei, Zheng; Zabula, Alexander V.; Filatov, Alexander S.; Petrukhina, Marina A.
Monoreduced 1,2-dihydrocorannulene <i>versus</i> the parent corannulene
Acta Crystallographica Section C, 2015, 71
2020059 CIF
HKL
Paper
C42 H30 Cl2 Cu2 N8 O2 SnP 1 21/n 110.334; 15.9714; 25.3074
90; 93.277; 90
4170.12Titi, Hatem M.; Goldberg, Israel
Diamondoid framework solid with Sn(OCH~3~)~2~‒tetrapyridylporphyrin linkers, Cu^I^ nodes and [Cu^I^Cl~2~]^{-^} counter-ions
Acta Crystallographica Section C, 2015, 71
2020060 CIF
HKL
Paper
C36 H31 Br N2 O5P -19.5268; 13.0566; 13.4593
94.401; 97.385; 107.762
1569.2Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity
Acta Crystallographica Section C, 2015, 71
2020061 CIF
HKL
Paper
C32 H25 Br N2 O3P -19.0986; 9.7185; 16.5056
78.915; 75.763; 67.687
1300.77Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity
Acta Crystallographica Section C, 2015, 71
2020062 CIF
HKL
Paper
C37 H34 N2 O5P 1 21/n 110.1226; 14.3682; 21.353
90; 91.799; 90
3104.1Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity
Acta Crystallographica Section C, 2015, 71
2020063 CIF
HKL
Paper
C15 H15 Cd N11P b c m7.7042; 14.457; 17.549
90; 90; 90
1954.6Wang, Hui-Ting; Zhou, Lin; Wang, Xiao-Li
A two-dimensional anionic Cd^II^ polymer constructed through dicyanamide coordination bridges
Acta Crystallographica Section C, 2015, 71
2020064 CIF
HKL
Paper
C8 H20 Br3 Cd N OP 1 21/n 110.44; 7.7444; 18.161
90; 95.16; 90
1462.4Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan
Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate
Acta Crystallographica Section C, 2015, 71
2020065 CIF
HKL
Paper
C8 H20 Br3 Hg N OP 1 21/n 110.373; 7.862; 17.984
90; 94.85; 90
1461.4Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan
Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate
Acta Crystallographica Section C, 2015, 71
2020066 CIF
HKL
Paper
C9 H24 F3 N3 O6 S3P 1 21 111.873; 5.2291; 15.3459
90; 106.602; 90
913.03Minkov, V. S.; Ghazaryan, V. V.; Boldyreva, E. V.; Petrosyan, A. M.
Unusual hydrogen bonding in <small>L</small>-cysteine hydrogen fluoride
Acta Crystallographica Section C, 2015, 71
2020067 CIF
HKL
Paper
C17 H13 N O2P -17.994; 9.0648; 10.7692
109.136; 109.397; 97.32
670.52Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly
Acta Crystallographica Section C, 2015, 71
2020068 CIF
HKL
Paper
C9 H7 N O2 SP 1 21/n 112.2264; 9.8581; 15.8735
90; 112.129; 90
1772.3Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly
Acta Crystallographica Section C, 2015, 71
2020069 CIF
HKL
Paper
C20 H15 N3 O SP -18.846; 9.9951; 11.2435
114.481; 98.564; 105.891
830.15Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly
Acta Crystallographica Section C, 2015, 71
2020070 CIF
HKL
Paper
C21 H17 N3 O SP -19.1697; 10.7939; 11.0837
66.424; 66.147; 67.934
889.13Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly
Acta Crystallographica Section C, 2015, 71
2020071 CIF
HKL
Paper
C19 H13 N3 O S2P b c a8.2717; 17.453; 23.3501
90; 90; 90
3370.96Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly
Acta Crystallographica Section C, 2015, 71
2020072 CIF
HKL
Paper
C15 H13 N O3 SP b c a16.6123; 9.7589; 17.7543
90; 90; 90
2878.29Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly
Acta Crystallographica Section C, 2015, 71
2020073 CIF
HKL
Paper
C24 H28 Cd3 N14 S8P 1 21/c 17.1457; 26.002; 10.043
90; 94.36; 90
1860.6Wang, Hui-Ting; Li, Qiang; Zhou, Lin
A two-dimensional cadmium(II) coordination polymer based on 1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane and thiocyanate ligands
Acta Crystallographica Section C, 2015, 71
2020074 CIF
HKL
Paper
C47 H41 Mn N3 O9P -110.3336; 14.3984; 15.2649
90.673; 98.12; 110.761
2097.8Wang, Jing; Jia, Chunmei; Feng, Xiao; Yuan, Wenbing
A new one-dimensional coordination polymer of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid with manganese
Acta Crystallographica Section C, 2015, 71
2020075 CIF
HKL
Paper
C44 H34 O2P -110.7466; 10.7589; 15.0842
103.436; 93.315; 108.019
1597.19Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin
Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile
Acta Crystallographica Section C, 2015, 71
2020076 CIF
HKL
Paper
C47 H41 N O3P 19.1196; 9.5474; 11.992
105.682; 90.853; 117.642
878.39Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin
Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile
Acta Crystallographica Section C, 2015, 71
2020077 CIF
HKL
Paper
C48 H42 O2P -19.4052; 13.1823; 15.6828
79.371; 80.965; 74.371
1828.49Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin
Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile
Acta Crystallographica Section C, 2015, 71
2020078 CIF
HKL
Paper
C51 H49 N O3P -18.9604; 10.8542; 22.0219
92.689; 93.978; 113.2
1957.42Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin
Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile
Acta Crystallographica Section C, 2015, 71
2020079 CIF
HKL
Paper
C50 H45 N O2P -17.9452; 14.2079; 17.8589
83.687; 78.583; 76.417
1916.57Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin
Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile
Acta Crystallographica Section C, 2015, 71
2020080 CIF
HKL
Paper
C18 H17 Co I N4 O4P b c a10.2561; 17.088; 22.205
90; 90; 90
3891.6Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin
Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate
Acta Crystallographica Section C, 2015, 71
2020081 CIF
HKL
Paper
C18 H23 I N4 O7 ZnP 1 21/c 17.991; 17.8363; 18.2004
90; 110.08; 90
2436.4Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin
Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate
Acta Crystallographica Section C, 2015, 71
2020082 CIF
HKL
Paper
C13 H22 N2 S Si2P 21 21 2110.0302; 10.6172; 16.2428
90; 90; 90
1729.74Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel
Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione
Acta Crystallographica Section C, 2015, 71
2020083 CIF
HKL
Paper
C10 H14 N2 S SiP 1 21/c 19.8057; 15.8032; 15.8658
90; 93.859; 90
2453.01Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel
Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione
Acta Crystallographica Section C, 2015, 71

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