Crystallography Open Database

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2022200 CIF
HKL
Paper
C19 H22 N4 O3 SP -19.1209; 9.6732; 11.958
104.763; 100.147; 103.858
958.4Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022201 CIF
HKL
Paper
C19 H22 N4 O4 SP -19.1304; 9.9986; 11.8551
107.458; 99.719; 99.414
990.84Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022202 CIF
HKL
Paper
C19 H22 N4 O3 SP 1 21 15.8289; 18.094; 9.0173
90; 95.799; 90
946.17Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022203 CIF
HKL
Paper
C20 H24 N4 O4 SP c a 2128.5394; 8.0288; 9.1435
90; 90; 90
2095.12Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022204 CIF
HKL
Paper
C17 H20 N4 O3 SP 1 21/c 18.0154; 14.2211; 15.9349
90; 102.337; 90
1774.44Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022205 CIF
HKL
Paper
C22 H22 N4 O3 SC 1 2/c 125.4485; 8.9445; 19.0694
90; 110.315; 90
4070.7Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022206 CIF
HKL
Paper
C21 H20 N4 O4 SP -19.2791; 11.1445; 11.4872
65.567; 73.829; 73.034
1017.32Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022207 CIF
HKL
Paper
C13 H13 F N2 O3C 1 2/c 116.0881; 7.1958; 23.177
90; 108.838; 90
2539.4Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak
Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Acta Crystallographica Section C, 2020, 76
2022208 CIF
HKL
Paper
C53 H52 Cl4 F4 N8 O12P 1 2/n 116.207; 9.1642; 17.963
90; 91.607; 90
2666.89Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak
Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Acta Crystallographica Section C, 2020, 76
2022209 CIF
HKL
Paper
C15 H17 F N2 O4P -17.3353; 8.9091; 12.5006
82.389; 79.38; 65.898
731.44Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak
Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Acta Crystallographica Section C, 2020, 76
2022210 CIF
HKL
Paper
C15 H11 I N2 O2 SP 1 21/c 110.9586; 10.2679; 12.9392
90; 93.624; 90
1453.03Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.
Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors
Acta Crystallographica Section C, 2020, 76
2022211 CIF
HKL
Paper
C15 H14 N2 O4 SP 1 21/n 110.048; 13.802; 10.543
90; 90.487; 90
1462.1Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.
Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors
Acta Crystallographica Section C, 2020, 76
2022212 CIF
HKL
Paper
C15 H16 N2 O2 SP 1 21/n 110.3376; 12.6151; 10.885
90; 96.59; 90
1410.13Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.
Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors
Acta Crystallographica Section C, 2020, 76
2022213 CIF
HKL
Paper
C5 H10 Cl2 N8C 1 2/c 118.962; 5.9225; 11.6649
90; 127.027; 90
1045.8Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun
Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride
Acta Crystallographica Section C, 2020, 76
2022214 CIF
HKL
Paper
C10 H11 N5 OP -18.4476; 8.5662; 8.6125
110.812; 115.048; 92.854
512.82Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole
Acta Crystallographica Section C, 2020, 76
2022215 CIF
HKL
Paper
C10 H11 N5 OP 21 21 214.824; 8.2685; 26.527
90; 90; 90
1058.1Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole
Acta Crystallographica Section C, 2020, 76
2022216 CIF
HKL
Paper
C29 H27 N5 O5 ZnP -111.588; 11.995; 20.431
80.65; 89.97; 89.99
2802Chen, Ning-Ning; Zhang, Chen; Tao, Jian-Qing
A twofold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties
Acta Crystallographica Section C, 2020, 76
2022217 CIF
HKL
Paper
C40.5 H54 Fe N21 O2.5P -112.5006; 12.7609; 15.0775
84.538; 86.265; 85.919
2384Hao, Xiaoyun; Cao, Tong; Dou, Yong; Yang, Lu; Zhou, Zhen; Zhang, Daopeng; Hao, Hongguo
A rare octacoordinated mononuclear iron(III) spin-crossover compound: synthesis, crystal structure and magnetic properties
Acta Crystallographica Section C, 2020, 76
2022218 CIF
HKL
Paper
C20 H40 B N5 O8P 1 21 19.72506; 13.58223; 10.4099
90; 116.071; 90
1235.11Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Acta Crystallographica Section C, 2020, 76, 695-705
2022219 CIF
HKL
Paper
C16 H44.75 B N5 O14.375P 21 21 2110.40272; 17.5277; 30.9259
90; 90; 90
5638.9Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Acta Crystallographica Section C, 2020, 76, 695-705
2022220 CIF
HKL
Paper
C26 H55 B N5 O9.5P 1 21 111.49802; 10.19256; 14.65365
90; 107.916; 90
1634.05Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Acta Crystallographica Section C, 2020, 76, 695-705
2022221 CIF
HKL
Paper
C25 H45 B N6 O9P 21 21 2110.41666; 15.3809; 18.0053
90; 90; 90
2884.77Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Acta Crystallographica Section C, 2020, 76, 695-705
2022222 CIF
HKL
Paper
C64 H82 Br2 Cu N4 O4P -110.2725; 12.254; 12.7472
109.923; 105.202; 94.953
1428.23Nalaoh, Phattananawee; Bureekaew, Sareeya; Promarak, Vinich; Lindsey, Jonathan S.
Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle π‒π stacking in a compact supramolecular package
Acta Crystallographica Section C, 2020, 76, 647-654
2022223 CIF
HKL
Paper
C68 H58 Co4 N12 O26P -110.66; 12.24; 14.649
109.48; 107.32; 98.87
1650.6Li, Shao-Dong; Su, Feng; Zhu, Miao-Li; Lu, Li-Ping
A novel three-dimensional tetranuclear Co^II^ coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate
Acta Crystallographica Section C, 2020, 76
2022224 CIF
HKL
Paper
Ba2 P2 ZnI b a m6.756; 13.108; 6.385
90; 90; 90
565.4Balvanz, Adam; Baranets, Sviatoslav; Bobev, Svilen
Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba~2~ZnP~2~
Acta Crystallographica Section C, 2020, 76
2022225 CIF
HKL
Paper
C21 H19 N O2P 1 21/c 18.2595; 6.4279; 31.9064
90; 93.674; 90
1690.47Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022226 CIF
HKL
Paper
C20 H16 Br N OP 1 21/c 18.0849; 6.6692; 31.1063
90; 95.005; 90
1670.85Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022227 CIF
HKL
Paper
C21 H16 F3 N OP 1 21/c 18.0822; 6.6567; 32.1024
90; 90.576; 90
1727.05Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022228 CIF
HKL
Paper
C22 H21 N O3P -19.5301; 10.3513; 10.3621
65.374; 86.583; 76.376
902.23Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022229 CIF
HKL
Paper
C21 H18 Br N O2P 1 21/n 19.5709; 10.6119; 18.2074
90; 90.939; 90
1849Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022230 CIF
HKL
Paper
C22 H18 F3 N O2P -18.7465; 9.9436; 11.1116
105.446; 99.763; 97.204
903.08Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022231 CIFC26 H21 N OP b c a13.273; 14.8012; 20.137
90; 90; 90
3956Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022232 CIFC28 H23 N OP 1 21/n 110.8168; 17.3361; 12.8892
90; 114.132; 90
2205.8Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022233 CIF
HKL
Paper
C15 H8 Br F O3P 1 21/c 13.8598; 11.7229; 27.679
90; 93.255; 90
1250.4Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols
Acta Crystallographica Section C, 2020, 76
2022234 CIF
HKL
Paper
C15 H8 Br Cl O3P 1 21/c 126.4034; 3.9818; 26.2773
90; 104.605; 90
2673.35Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols
Acta Crystallographica Section C, 2020, 76
2022235 CIF
HKL
Paper
C15 H8 Br2 O3P -17.0725; 7.0884; 14.6069
92.23; 103.091; 101.219
696.98Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols
Acta Crystallographica Section C, 2020, 76
2022236 CIF
HKL
Paper
C15 H8 Br I O3I 1 2/a 126.4214; 4.76309; 46.6213
90; 106.034; 90
5638.9Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols
Acta Crystallographica Section C, 2020, 76
2022237 CIF
HKL
Paper
C5 H12 N10 OP -15.4364; 5.6202; 15.844
83.623; 87.617; 86.146
479.72Yan, Biao; Li, Hongya; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun
Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate
Acta Crystallographica Section C, 2020, 76
2022238 CIF
HKL
Paper
C14 H12 F3 N3 O5 SI b a 217.6719; 25.7296; 6.8887
90; 90; 90
3132.2Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter
Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation
Acta Crystallographica Section C, 2020, 76
2022239 CIF
HKL
Paper
C17 H16 F3 N3 O7 SP 1 21 18.8165; 16.1649; 13.4246
90; 90.0022; 90
1913.25Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter
Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation
Acta Crystallographica Section C, 2020, 76
2022240 CIF
HKL
Paper
C84 H138 N4 O18 Zn5P 1 21/n 114.5681; 19.477; 17.8029
90; 109.21; 90
4770.2Abu Ali, Hijazi; Darawsheh, Mohanad
Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU
Acta Crystallographica Section C, 2020, 76
2022241 CIF
HKL
Paper
C106 H182 N6 O24 Zn6P 1 21/n 115.3595; 24.8498; 16.6739
90; 106.631; 90
6097.9Abu Ali, Hijazi; Darawsheh, Mohanad
Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU
Acta Crystallographica Section C, 2020, 76
2022242 CIF
HKL
Paper
C54 H52 B Co N7 S2P b c a26.26089; 12.39989; 29.17764
90; 90; 90
9501.18Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.
Conformational polymorphism in a cobalt(II) dithiocarbamate complex
Acta Crystallographica Section C, 2020, 76
2022243 CIF
HKL
Paper
C54 H52 B Co N7 S2P -111.69503; 15.27162; 15.43643
117.441; 100.791; 94.2199
2362.76Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.
Conformational polymorphism in a cobalt(II) dithiocarbamate complex
Acta Crystallographica Section C, 2020, 76
2022244 CIF
HKL
Paper
C15 H20 O4P 21 21 217.366; 12.8932; 14.9661
90; 90; 90
1421.35Arancibia, Luz; Naspi, Mariana; Pucci, Graciela; Rodriguez, Maricel; Di Salvo, Florencia
Revisiting the absolute chirality and polymorphism of (‒)-Istanbulin A
Acta Crystallographica Section C, 2020, 76
2022245 CIF
HKL
Paper
C10 H8 N2 O2P 21 21 214.5999; 10.2684; 18.711
90; 90; 90
883.79Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
Synthesis and structures of three isoxazole-containing Schiff bases
Acta Crystallographica Section C, 2020, 76, 927-931
2022246 CIF
HKL
Paper
C11 H10 N2 O2P n a 2120.5584; 10.0468; 4.6417
90; 90; 90
958.73Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
Synthesis and structures of three isoxazole-containing Schiff bases
Acta Crystallographica Section C, 2020, 76, 927-931
2022247 CIF
HKL
Paper
C18 H24 N2 O2P -110.8955; 10.9571; 14.8329
82.335; 88.326; 75.178
1696.56Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
Synthesis and structures of three isoxazole-containing Schiff bases
Acta Crystallographica Section C, 2020, 76, 927-931
2022248 CIF
Paper
Bi In0.14 Li2.56F d -3 m :213.337; 13.337; 13.337
90; 90; 90
2372.3Ovchinnikov, Alexander; Bobev, Svilen
Electronic stabilization by occupational disorder in the ternary bismuthide Li~3 -~ <i>~x~</i>~-~<i>~y~</i>In<i>~x~</i>Bi (<i>x</i> ≃0.14, <i>y</i> ≃0.29)
Acta Crystallographica, Section C, 2020, 76, 585-590
2022249 CIF
HKL
Paper
C26 H21 Ag N2 O5P -17.9269; 11.3939; 13.6589
78.61; 81.339; 70.031
1132.01Chen, Zhao; Zhang, Zilong; Zhang, Chong; Xiao, Yu
A new ladder-type silver(I) coordination polymer with 4,4'-bipyridine and 4-[(4-carboxybenzyloxy)methyl]benzoate ligands: synthesis, crystal structure, fluorescence properties and Hirshfeld surface analysis
Acta Crystallographica Section C, 2020, 76, 952-957
2022250 CIF
HKL
Paper
C18 H20 O5P 1 21/c 19.9167; 6.9587; 23.2803
90; 96.988; 90
1594.58Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej
Two new polymorphic forms of combretastatin A-4, an antitumour agent
Acta Crystallographica Section C, 2020, 76, 958-964
2022251 CIF
HKL
Paper
C18 H20 O5P c a 2125.9293; 8.8657; 14.3503
90; 90; 90
3298.87Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej
Two new polymorphic forms of combretastatin A-4, an antitumour agent
Acta Crystallographica Section C, 2020, 76, 958-964
2022252 CIF
HKL
Paper
C5 H10 N10 O6P b c n7.7416; 8.9487; 17.168
90; 90; 90
1189.4Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun
Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate
Acta Crystallographica Section C, 2020, 76, 965-971
2022253 CIF
HKL
Paper
C12 H16 N2 Na2 O10 S2C 1 2/c 121.2141; 5.537; 15.3045
90; 90.31; 90
1797.68Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022254 CIF
HKL
Paper
C12 H16 Ca N2 O10 S2P -16.3875; 6.747; 11.303
94.289; 103.16; 108.456
444.21Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022255 CIF
HKL
Paper
C12 H18 N3 Na O10 S2P 1 21/c 113.9454; 19.517; 6.9014
90; 93.838; 90
1874.2Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022256 CIF
HKL
Paper
C24 H48 Mg N6 O26 S4C 1 2/c 136.896; 6.7806; 17.914
90; 111.178; 90
4179Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022257 CIF
HKL
Paper
C14 H25 Ba N3 O13 S2P b c a7.1293; 18.8368; 34.752
90; 90; 90
4667Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022258 CIF
HKL
Paper
C8 H10 N8 S2C 1 c 112.3766; 10.7745; 9.205
90; 104.777; 90
1186.9Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
Acta Crystallographica Section C, 2020, 76, 992-999
2022259 CIF
HKL
Paper
C9 H12 N8 S2F d d 236.9868; 15.5842; 4.2131
90; 90; 90
2428.47Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
Acta Crystallographica Section C, 2020, 76, 992-999
2022260 CIF
HKL
Paper
C6 H10 N4 O SP 1 21/c 18.6783; 9.1691; 11.4391
90; 97.846; 90
901.71Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
Acta Crystallographica Section C, 2020, 76, 992-999
2022261 CIF
HKL
Paper
C4 H5 K N4 O2 SP -16.9631; 8.035; 8.0886
103.021; 111.568; 106.007
376.56Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
Acta Crystallographica Section C, 2020, 76, 992-999
2022262 CIF
HKL
Paper
C13 H10.5 Cl2 N3.5 O2 PtC 2 2 217.4469; 27.9271; 14.3092
90; 90; 90
2975.89Khalaj, Mehdi; Olyaei, Abolfazl; Sadeghpour, Mahdieh; Lalegani, Arash; Lipkowski, Janusz; Lough, Alan J.
Platinum(II) complex with 4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity
Acta Crystallographica Section C, 2020, 76
2022263 CIF
HKL
Paper
C25 H36 Cd N4 O8P 1 21/c 19.0047; 16.5608; 19.4709
90; 107.493; 90
2769.3Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin
Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^
Acta Crystallographica Section C, 2020, 76
2022264 CIF
HKL
Paper
C19 H27 Cd N2 O5P -18.2423; 10.6568; 12.4175
105.466; 92.7; 103.416
1015.6Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin
Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^
Acta Crystallographica Section C, 2020, 76
2022265 CIF
HKL
Paper
C32 H31 Br N2 O2P 21 21 2111.1584; 13.6425; 36.061
90; 90; 90
5489.5Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022266 CIF
HKL
Paper
C36 H35 Br N2 O6P 1 21 116.4556; 10.3205; 20.1636
90; 109.183; 90
3234.2Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022267 CIF
HKL
Paper
C17 H14 Br N OP 21 21 214.3606; 10.82; 29.886
90; 90; 90
1410.1Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022268 CIF
HKL
Paper
C39 H39.34 Br N2 O5.17P 1 21 112.6384; 7.9259; 17.5249
90; 99.845; 90
1729.63Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022269 CIF
HKL
Paper
C40.48 H41.23 Br N2.74 O5P 1 21 112.8661; 8.0386; 17.4704
90; 101.093; 90
1773.12Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022270 CIF
HKL
Paper
C19 H17 Cl2 N O2P 1 21 13.96521; 16.7005; 12.4252
90; 91.185; 90
822.63Alsafi, Mona A.; Hughes, David L.; Said, Musa A.
First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study
Acta Crystallographica Section C Structural Chemistry, 2020, 76
2022271 CIF
HKL
Paper
C28 H32 Ca3 N4 O29P -16.9363; 15.9791; 16.9786
90.844; 93.106; 98.296
1858.93Lumpe, Henning; Mayer, Peter; Daumann, Lena J.
Crystal structure of a calcium(II)‒pyrroloquinoline quinone (PQQ) complex outside a protein environment
Acta Crystallographica Section C, 2020, 76
2022272 CIF
HKL
Paper
C8 H20 Cl3 Mo O3P 21 21 218.6186; 12.25; 13.5681
90; 90; 90
1432.5Shaw, Thomas E.; LeMagueres, Pierre; Sattelberger, Alfred P.; Jurca, Titel
Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)
Acta Crystallographica Section C, 2020, 76, 947-951
2022273 CIF
HKL
Paper
C20 H30 N4 O8P 1 21/c 111.071; 18.892; 13.115
90; 123.29; 90
2292.9Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos
Removing the C-terminal protecting group enlarges the crystal size: Z‒(Gly‒Aib)~2~‒OH·H~2~O
Acta Crystallographica Section C, 2020, 76
2022274 CIF
HKL
Paper
C48 H42 Mo6 N4 O32P n n m19.3159; 15.0183; 19.6537
90; 90; 90
5701.4Chen, Wen-Tong
Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin
Acta Crystallographica Section C, 2020, 76
2022275 CIF
HKL
Paper
C22 H16 N3 O4.5 ZnP 1 21/n 111.0556; 9.5218; 18.2923
90; 100.732; 90
1891.9Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun
Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing
Acta Crystallographica Section C, 2020, 76
2022276 CIF
HKL
Paper
C30 H22 Cu N2 O6P -111.0642; 11.1234; 11.6697
61.912; 86.182; 80.602
1249.97Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun
Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing
Acta Crystallographica Section C, 2020, 76
2022277 CIF
HKL
Paper
C66 H56 O10P -113.574; 13.829; 14.657
79.013; 87.544; 83.381
2682.3Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022278 CIF
HKL
Paper
C30 H32 O10P 1 21/n 112.147; 20.697; 12.702
90; 117.432; 90
2834Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022279 CIF
HKL
Paper
C24 H14 F6 O4C 1 2/c 130.399; 9.176; 14.994
90; 97.204; 90
4149Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022280 CIF
HKL
Paper
C38 H32 O6P -110.239; 13.056; 23.923
86.992; 89.198; 73.621
3064Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022281 CIF
HKL
Paper
C26 H24 O6P 1 21/n 19.033; 6.427; 37.08
90; 91.948; 90
2151.4Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022282 CIF
HKL
Paper
C24 H14 F6 O4I 1 2/a 123.308; 7.132; 27.253
90; 112.62; 90
4182Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022283 CIF
HKL
Paper
C27 H24 N2 O9P 1 21 113.5302; 4.6101; 19.3371
90; 103.603; 90
1172.33Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.
Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality
Acta Crystallographica Section C, 2020, 76, 1100-1107
2022284 CIF
HKL
Paper
C27 H23 Cl N2 O9C 1 2 140.6637; 4.52749; 12.7049
90; 98.027; 90
2316.11Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.
Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality
Acta Crystallographica Section C, 2020, 76, 1100-1107
2022285 CIF
HKL
Paper
C8 H18 F2 I4 N2 PbP 1 21/c 113.6842; 8.5302; 8.9518
90; 107.996; 90
993.81Huang, Chao-Ran; Li, Peng-Fei; Luo, Xu-Zhong
A two-dimensional organic‒inorganic lead iodide perovskite: poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]
Acta Crystallographica Section C, 2020, 76, 1096-1099
2022295 CIF
HKL
Paper
C13 H10 Br N OP c a 2112.2768; 4.4829; 19.6694
90; 90; 90
1082.52Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism
Acta Crystallographica Section C, 2020, 76, 1001-1004
2022296 CIF
HKL
Paper
C13 H10 Br N OC 1 c 125.8944; 6.9439; 6.1499
90; 91.381; 90
1105.48Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism
Acta Crystallographica Section C, 2020, 76, 1001-1004
2022359 CIF
Paper
C12 H17 N5 O SP 1 21/c 114.0601; 10.9903; 8.7228
90; 97.16; 90
1337.38Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej
Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives
Acta Crystallographica, Section C, 2020, 76, 673-680
2022360 CIF
HKL
Paper
C12 H18 Cl N5 O2 SP 1 21/c 16.8829; 11.8924; 19.0594
90; 98.737; 90
1541.99Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej
Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives
Acta Crystallographica, Section C, 2020, 76, 673-680
2022361 CIF
HKL
Paper
C17 H19 Cl N6 SP 1 21/n 111.2996; 9.387; 18.9935
90; 101.8; 90
1972.05Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej
Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives
Acta Crystallographica, Section C, 2020, 76, 673-680
2022362 CIF
HKL
Paper
C6 H7 Cl N4P 21 21 213.77379; 5.63483; 32.9783
90; 90; 90
701.273Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej
Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives
Acta Crystallographica, Section C, 2020, 76, 673-680

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