Search results

Formula: - C128 H228 Cr2 O26 P6 -
Comments: Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E. Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization Acta Crystallographica Section C 76(1) (2020) 93-103
Space group: P 1 21 1
Cell volume: 6975.3
Cell parameters: 16.0576; 24.7423; 18.2142; 90; 105.443; 90;

COD ID: 2021846

Formula: - C84 H136 Cl Cr2 O18 P3 -
Comments: Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E. Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization Acta Crystallographica Section C 76(1) (2020) 93-103
Space group: P 21 21 21
Cell volume: 9197.5
Cell parameters: 15.4994; 23.1995; 25.5787; 90; 90; 90;

COD ID: 2021847

Formula: - C116 H172 Cl2 Cr2 O20 P4 -
Comments: Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E. Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization Acta Crystallographica Section C 76(1) (2020) 93-103
Space group: P -1
Cell volume: 3060.2
Cell parameters: 12.8003; 14.3922; 19.0048; 76.5044; 74.5363; 66.3984;

COD ID: 2021848

Formula: - C23 H18 O -
Comments: Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A. Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds Acta Crystallographica Section C 76(1) (2020) 87-92
Space group: P b c a
Cell volume: 3420.39
Cell parameters: 10.6325; 14.7734; 21.7751; 90; 90; 90;

COD ID: 2021849

Formula: - C22 H15 N O2 -
Comments: Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A. Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds Acta Crystallographica Section C 76(1) (2020) 87-92
Space group: P 1 21/c 1
Cell volume: 1635.6
Cell parameters: 9.6548; 22.2107; 7.9248; 90; 105.749; 90;

COD ID: 2021850

Formula: - C23 H18 -
Comments: Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A. Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds Acta Crystallographica Section C 76(1) (2020) 87-92
Space group: P 1 21/n 1
Cell volume: 1588.91
Cell parameters: 14.3054; 5.8354; 19.0365; 90; 90.935; 90;

COD ID: 2021851

Formula: - C19 H24 N O3 P -
Comments: Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)X [X~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~] Acta Crystallographica Section C 76(1) (2020) 104-116
Space group: P n a 21
Cell volume: 1771.31
Cell parameters: 9.3538; 9.7899; 19.3432; 90; 90; 90;

COD ID: 2021852

Formula: - C26 H24 N O3 P -
Comments: Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)X [X~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~] Acta Crystallographica Section C 76(1) (2020) 104-116
Space group: P -1
Cell volume: 1080.73
Cell parameters: 8.3404; 9.5349; 14.9677; 76.28; 75.778; 72.055;

COD ID: 2021925

Formula: - C32 H24 N6 -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: P 1 21/c 1
Cell volume: 2629.9
Cell parameters: 13.023; 7.34; 27.762; 90; 97.693; 90;

COD ID: 2021926

Formula: - C34 H28 N6 -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: P -1
Cell volume: 1381.45
Cell parameters: 10.2585; 11.961; 12.8232; 64.941; 79.573; 76.829;

COD ID: 2021927

Formula: - C70 H59 N13 -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: P -1
Cell volume: 1470.1
Cell parameters: 11.271; 11.6944; 12.5164; 79.875; 87.701; 64.941;

COD ID: 2021928

Formula: - C36 H26 N4 -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: C 1 2/c 1
Cell volume: 2744.1
Cell parameters: 26.195; 9.809; 11.806; 90; 115.23; 90;

COD ID: 2021929

Formula: - C23 H17 N3 O -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: P 21 21 21
Cell volume: 1878.17
Cell parameters: 6.8767; 8.3698; 32.6317; 90; 90; 90;

COD ID: 2021930

Formula: - C24 H19 N3 O -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: P 43 21 2
Cell volume: 3819.07
Cell parameters: 8.358; 8.358; 54.6705; 90; 90; 90;

COD ID: 2021931

Formula: - C24 H19 N3 O -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: P 1 21/c 1
Cell volume: 1982.36
Cell parameters: 18.6779; 8.6694; 12.7956; 90; 106.91; 90;

COD ID: 2021932

Formula: - C25 H18 N2 O -
Comments: Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil Acta Crystallographica Section C 76(1) (2020) 44-63
Space group: P 1 21/c 1
Cell volume: 1931
Cell parameters: 17.2081; 9.4075; 11.9703; 90; 94.814; 90;

COD ID: 2021933

Formula: - C14 H11 N O3 -
Comments: Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism Acta Crystallographica Section C 76(1) (2020) 75-86
Space group: P 1 21/c 1
Cell volume: 1122
Cell parameters: 9.419; 8.322; 14.342; 90; 93.612; 90;

COD ID: 2021934

Formula: - C14 H10 N2 O5 -
Comments: Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism Acta Crystallographica Section C 76(1) (2020) 75-86
Space group: P 1 21 1
Cell volume: 642
Cell parameters: 5.285; 18.418; 6.699; 90; 100.105; 90;

COD ID: 2021935

Formula: - C14 H12 N2 O5 -
Comments: Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism Acta Crystallographica Section C 76(1) (2020) 75-86
Space group: P 1 21 1
Cell volume: 652.52
Cell parameters: 5.3661; 18.6171; 6.6116; 90; 98.918; 90;

COD ID: 2021936

Formula: - C10 H13 N O4 -
Comments: Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism Acta Crystallographica Section C 76(1) (2020) 75-86
Space group: P m n 21
Cell volume: 503.14
Cell parameters: 10.035; 5.5937; 8.9634; 90; 90; 90;

COD ID: 2021937

Formula: - C96 H86 N20 O17 Zn3 -
Comments: Wang, Saier; Bi, Rong; Liu, Jiadi; Shi, Ying; Wang, Kuaibing; Mao, Feifei; Wu, Hua A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoic acid and 1,3-bis[(imidazol-1-yl)methyl]benzene ligands: synthesis, structure and properties Acta Crystallographica Section C 76(1) (2020) 10-16
Space group: P 1 c 1
Cell volume: 4848.4
Cell parameters: 16.908; 8.432; 34.872; 90; 102.782; 90;

COD ID: 2021938

Formula: - C5 H8 N8 -
Comments: Li, Hongya; Yan, Biao; Ma, Haixia; Sun, Zhiyong; Ma, Yajun; Zhang, Zhifang Crystal structure, thermodynamic properties and detonation characterization of bis(5-amino-1,2,4-triazol-3-yl)methane Acta Crystallographica Section C 76(1) (2020) 64-68
Space group: F d d 2
Cell volume: 1600.5
Cell parameters: 18.632; 19.933; 4.3095; 90; 90; 90;

COD ID: 2021939

Formula: - C28 H18 Cu N4 O5 S2 -
Comments: Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands Acta Crystallographica Section C 76(1) (2020) 37-43
Space group: C 1 2/c 1
Cell volume: 2638.1
Cell parameters: 21.086; 8.0671; 15.9578; 90; 103.623; 90;

COD ID: 2021940

Formula: - C42 H28 Cu2 N4 O11 S2 -
Comments: Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands Acta Crystallographica Section C 76(1) (2020) 37-43
Space group: P -1
Cell volume: 1970.7
Cell parameters: 11.14; 12.522; 14.911; 74.487; 87.709; 79.511;

COD ID: 2021941

Formula: - C50 H38 Co N12 O10 -
Comments: Wang, Zhi-Xiang; Tian, Hai-Xin; Ding, Jian-Gang; Li, Bao-Long; Wu, Bing A Co-MOF with a (4,4)-connected binodal two-dimensional topology: synthesis, structure and photocatalytic properties Acta Crystallographica Section C 76(1) (2020) 23-29
Space group: P -1
Cell volume: 1198.41
Cell parameters: 7.4985; 11.3099; 14.7152; 101.142; 95.336; 99.286;

COD ID: 2021942

Formula: - C17 H16 N2 O4 S -
Comments: Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina Biological properties of two enantiomorphic forms of N-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1H-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam Acta Crystallographica Section C 76(1) (2020) 69-74
Space group: P 32
Cell volume: 1215.51
Cell parameters: 8.3729; 8.3729; 20.0206; 90; 90; 120;

COD ID: 2021943

Formula: - C17 H16 N2 O4 S -
Comments: Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina Biological properties of two enantiomorphic forms of N-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1H-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam Acta Crystallographica Section C 76(1) (2020) 69-74
Space group: P 31
Cell volume: 1216.25
Cell parameters: 8.3735; 8.3735; 20.0299; 90; 90; 120;

COD ID: 2021944

Formula: - C49 H61 N5 O9 -
Comments: Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid Acta Crystallographica Section C Structural Chemistry 76(1) (2019) 1
Space group: P 1 21 1
Cell volume: 2341.2
Cell parameters: 10.645; 19.161; 11.503; 90; 93.75; 90;

COD ID: 2021945

Formula: - C28 H37 N3 O6 -
Comments: Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid Acta Crystallographica Section C Structural Chemistry 76(1) (2019) 1
Space group: P 1 21 1
Cell volume: 2859.9
Cell parameters: 10.388; 12.756; 21.624; 90; 93.55; 90;

COD ID: 2021946

Formula: - C32 H41 N3 O6 -
Comments: Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid Acta Crystallographica Section C Structural Chemistry 76(1) (2019) 1
Space group: P 1 21/n 1
Cell volume: 2992
Cell parameters: 9.937; 18.319; 16.436; 90; 90.19; 90;

COD ID: 2021947

Formula: - C30 H37 N3 O6 -
Comments: Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid Acta Crystallographica Section C Structural Chemistry 76(1) (2019) 1
Space group: P n a 21
Cell volume: 2795
Cell parameters: 18.922; 18.3; 8.072; 90; 90; 90;

COD ID: 2021948

Formula: - C15 H23 N O2 -
Comments: Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M. Influence of the position of the methyl substituent and N-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives Acta Crystallographica Section C 76(1) (2020) 30-36
Space group: P 21 21 21
Cell volume: 1384.69
Cell parameters: 15.3994; 11.5152; 7.8087; 90; 90; 90;

COD ID: 2021949

Formula: - C15 H23 N O2 -
Comments: Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M. Influence of the position of the methyl substituent and N-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives Acta Crystallographica Section C 76(1) (2020) 30-36
Space group: P b c a
Cell volume: 2758.18
Cell parameters: 8.517; 10.019; 32.323; 90; 90; 90;

COD ID: 2021950

Formula: - C15 H25 N O4 -
Comments: Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M. Influence of the position of the methyl substituent and N-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives Acta Crystallographica Section C 76(1) (2020) 30-36
Space group: P 1 21/c 1
Cell volume: 1488.33
Cell parameters: 19.3892; 6.1746; 12.6588; 90; 100.87; 90;

COD ID: 2021951

Formula: - C24 H26 Cl Mn N8 O6 -
Comments: Olmstead, Marilyn M. Bond length of perchlorate at different temperatures: X-ray and neutron comparison Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21 1
Cell volume: 1334.6
Cell parameters: 8.2608; 14.0676; 11.5967; 90; 97.9839; 90;

COD ID: 2021952

Formula: - C24 H26 Cl Mn N8 O6 -
Comments: Olmstead, Marilyn M. Bond length of perchlorate at different temperatures: X-ray and neutron comparison Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21 1
Cell volume: 1342.84
Cell parameters: 8.2788; 14.0816; 11.6343; 90; 98.0814; 90;

COD ID: 2021953

Formula: - C24 H26 Cl Mn N8 O6 -
Comments: Olmstead, Marilyn M. Bond length of perchlorate at different temperatures: X-ray and neutron comparison Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21 1
Cell volume: 1358.96
Cell parameters: 8.3188; 14.1117; 11.6994; 90; 98.3222; 90;

COD ID: 2021954

Formula: - C12 H10 Co N6 O6 -
Comments: Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid Acta Crystallographica Section C Structural Chemistry 76(2) (2020)
Space group: P 1 21/c 1
Cell volume: 714
Cell parameters: 7.134; 9.882; 10.3; 90; 100.484; 90;

COD ID: 2021955

Formula: - C12 H14 N6 Ni O8 -
Comments: Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid Acta Crystallographica Section C Structural Chemistry 76(2) (2020)
Space group: P -1
Cell volume: 401.92
Cell parameters: 7.3533; 7.9541; 8.1396; 65.416; 88.89; 69.788;

COD ID: 2021956

Formula: - C5 H9 Au Cl5 N5 O -
Comments: Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases Acta Crystallographica Section C 76(2) (2020)
Space group: P n a 21
Cell volume: 2684.8
Cell parameters: 15.7712; 13.0392; 13.0556; 90; 90; 90;

COD ID: 2021957

Formula: - C5 H7 Au Cl4 N5 O1.5 -
Comments: Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases Acta Crystallographica Section C 76(2) (2020)
Space group: P -1
Cell volume: 1195.35
Cell parameters: 8.1408; 11.9063; 12.4678; 84.918; 84.475; 85.649;

COD ID: 2021958

Formula: - C24 H24 N4 O6 Zn -
Comments: Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21 1
Cell volume: 1179.91
Cell parameters: 8.288; 14.3767; 10.2288; 90; 104.514; 90;

COD ID: 2021959

Formula: - C24 H24 N4 O6 Zn -
Comments: Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21 1
Cell volume: 1177.75
Cell parameters: 8.2888; 14.3618; 10.2195; 90; 104.509; 90;

COD ID: 2021960

Formula: - C24 H22 N4 O5 Zn -
Comments: Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21 1
Cell volume: 1154.28
Cell parameters: 9.0631; 11.8412; 11.6382; 90; 112.456; 90;

COD ID: 2021961

Formula: - C24 H22 N4 O5 Zn -
Comments: Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21 1
Cell volume: 1154.01
Cell parameters: 9.0571; 11.8439; 11.6393; 90; 112.441; 90;

COD ID: 2021962

Formula: - C42 H54 N8 Ni2 O11 -
Comments: Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties Acta Crystallographica Section C 76(2) (2020)
Space group: C 1 2/c 1
Cell volume: 4315.5
Cell parameters: 12.188; 15.6516; 22.7466; 90; 95.989; 90;

COD ID: 2021963

Formula: - C21 H32 N4 O8 Zn -
Comments: Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21/c 1
Cell volume: 2533.8
Cell parameters: 9.6488; 17.7245; 14.9109; 90; 96.47; 90;

COD ID: 2021964

Formula: - C59.5 H76.5 Mo10 N8.5 O60.029 P4 -
Comments: Skorepova, Eliska; Harchani, Ali; Ftini, Mohamed Mongi; Dušek, Michal; Haddad, Amor Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder Acta Crystallographica Section C 76(2) (2020)
Space group: P -1
Cell volume: 4981.24
Cell parameters: 14.8316; 15.2679; 23.237; 89.1396; 78.1097; 75.4959;

COD ID: 2021965

Formula: - C52 H43 Cl2 Cu F6 N3 P3 -
Comments: Wang, Dan-Dan; Wang, Jian-Teng; Song, Li; Wang, You-Yu; Chai, Wen-Xiang A new heteroleptic phosphorescent cuprous complex supported by a BINAP ligand: synthesis, structure, luminescence properties and theoretical analyses Acta Crystallographica Section C 76(2) (2020)
Space group: P 1 21/c 1
Cell volume: 4874.4
Cell parameters: 20.089; 11.1502; 21.972; 90; 97.945; 90;

COD ID: 2021966

Formula: - C20 H16 Eu2 N4 O16 -
Comments: Zheng, Wenxu; Wu, Kechen Anion-directed assemblies of europium(III) coordination polymers based on 1H-benzimidazole-5,6-dicarboxylate: structures and luminescence properties Acta Crystallographica Section C 76(2) (2020)
Space group: P -1
Cell volume: 587.3
Cell parameters: 7.49; 9.42; 9.6533; 117.97; 93.19; 99.12;

COD ID: 2021967

Formula: - C9 H5 Eu N2 O8 S -
Comments: Zheng, Wenxu; Wu, Kechen Anion-directed assemblies of europium(III) coordination polymers based on 1H-benzimidazole-5,6-dicarboxylate: structures and luminescence properties Acta Crystallographica Section C 76(2) (2020)
Space group: P -1
Cell volume: 562.51
Cell parameters: 6.961; 7.9482; 10.9901; 101.579; 106.761; 95.588;

COD ID: 2021968

Formula: - C7 H9 N O2 -
Comments: Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar Two novel polymorphic forms of iron-chelating agent deferiprone Acta Crystallographica Section C 76(2) (2020) 193-200
Space group: P b c a
Cell volume: 1271.2
Cell parameters: 7.185; 12.917; 13.697; 90; 90; 90;

COD ID: 2021969

Formula: - C7 H9 N O2 -
Comments: Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar Two novel polymorphic forms of iron-chelating agent deferiprone Acta Crystallographica Section C 76(2) (2020) 193-200
Space group: P 1 21/c 1
Cell volume: 631.1
Cell parameters: 6.4847; 13.6853; 7.1462; 90; 95.6583; 90;

COD ID: 2021970

Formula: - C7 H9 N O2 -
Comments: Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar Two novel polymorphic forms of iron-chelating agent deferiprone Acta Crystallographica Section C 76(2) (2020) 193-200
Space group: P 1 21/c 1
Cell volume: 1909.7
Cell parameters: 19.4132; 13.7057; 7.1809; 90; 91.775; 90;

COD ID: 2021972

Formula: - C8 H20 N Re S4 -
Comments: Bernhardt, Eduard; Herbst-Irmer, Regine Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~] Acta Crystallographica Section C 76(3) (2020)
Space group: P 63 m c
Cell volume: 753.1
Cell parameters: 8.15; 8.15; 13.092; 90; 90; 120;

COD ID: 2021973

Formula: - C8 H20 N Re S4 -
Comments: Bernhardt, Eduard; Herbst-Irmer, Regine Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~] Acta Crystallographica Section C 76(3) (2020)
Space group: P 63
Cell volume: 6534.5
Cell parameters: 24.17; 24.17; 12.916; 90; 90; 120;

COD ID: 2021974

Formula: - C8 H20 N Re S4 -
Comments: Bernhardt, Eduard; Herbst-Irmer, Regine Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~] Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21 1
Cell volume: 720
Cell parameters: 7.9; 12.842; 8.118; 90; 119.04; 90;

COD ID: 2021975

Formula: - C21.46 H19.85 N2 O2.46 S2 -
Comments: Mambourg, Kalina; Bodart, Laurie; Tumanov, Nikolay; Lanners, Steve; Wouters, Johan Synthesis, crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillin Acta Crystallographica Section C Structural Chemistry 76(3) (2020)
Space group: P -1
Cell volume: 3926.8
Cell parameters: 14.7387; 16.6445; 17.897; 84.662; 73.498; 68.886;

COD ID: 2021976

Formula: - C16 H14 O3 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21/c 1
Cell volume: 1312.85
Cell parameters: 8.5168; 6.6031; 23.3468; 90; 90.737; 90;

COD ID: 2021977

Formula: - C16 H14 O3 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors Acta Crystallographica Section C 76(3) (2020)
Space group: P b c n
Cell volume: 2523.77
Cell parameters: 12.7692; 8.5258; 23.182; 90; 90; 90;

COD ID: 2021978

Formula: - C17 H16 O3 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21/n 1
Cell volume: 2699.74
Cell parameters: 16.7561; 8.0448; 21.3319; 90; 110.138; 90;

COD ID: 2021979

Formula: - C15 H11 Cl O2 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21/c 1
Cell volume: 1219.86
Cell parameters: 6.476; 16.2902; 11.6755; 90; 97.953; 90;

COD ID: 2021980

Formula: - C16 H13 Br O2 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21/n 1
Cell volume: 2759.81
Cell parameters: 15.2121; 8.7614; 20.726; 90; 92.458; 90;

COD ID: 2021981

Formula: - C16 H14 O3 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors Acta Crystallographica Section C 76(3) (2020)
Space group: P c a 21
Cell volume: 1293.9
Cell parameters: 25.297; 4.0469; 12.639; 90; 90; 90;

COD ID: 2021982

Formula: - C15 H12 O3 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21 1
Cell volume: 1176.1
Cell parameters: 3.9413; 17.3664; 17.236; 90; 94.504; 90;

COD ID: 2021983

Formula: - C4 H6 N4 S -
Comments: Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej Solvent influence on the crystal packing of 6-aminothiocytosine Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21/c 1
Cell volume: 1219.7
Cell parameters: 9.7038; 10.5386; 15.3898; 90; 129.196; 90;

COD ID: 2021984

Formula: - C7 H13 N5 O S -
Comments: Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej Solvent influence on the crystal packing of 6-aminothiocytosine Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21/c 1
Cell volume: 2130.3
Cell parameters: 9.7682; 13.3671; 16.5201; 90; 99.03; 90;

COD ID: 2021985

Formula: - C37.17 H38.34 Cl2 Mn4 N6 O16 -
Comments: Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes Acta Crystallographica Section C 76(3) (2020)
Space group: P -1
Cell volume: 1102.02
Cell parameters: 8.5495; 11.055; 12.5947; 76.143; 73.11; 81.533;

COD ID: 2021986
CIF file Original IUCr paper	Formula: - C38 H40 Br2 Mn4 N6 O16 - Comments: Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes Acta Crystallographica Section C 76(3) (2020) Space group: P 1 21/c 1 Cell volume: 2293.56 Cell parameters: 14.6015; 19.1875; 8.2747; 90; 98.376; 90;

COD ID: 2021987
CIF file Original IUCr paper	Formula: - C19 H22 Cl Mn2 N3 O9 - Comments: Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes Acta Crystallographica Section C 76(3) (2020) Space group: P 1 21/c 1 Cell volume: 2316.6 Cell parameters: 8.5288; 31.321; 9.2665; 90; 110.631; 90;

COD ID: 2021988

Formula: - C2 H24 Mg2 O18 -
Comments: Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang A new hydrate of magnesium carbonate, MgCO~3~·6H~2~O Acta Crystallographica Section C 76(3) (2020)
Space group: P b a m
Cell volume: 799.87
Cell parameters: 12.3564; 6.5165; 9.9337; 90; 90; 90;

COD ID: 2021989

Formula: - C15 H29 N O12 -
Comments: Zhang, Wenhui; Meredith, Reagan J.; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. Glycosidic linkage, N-acetyl side-chain, and other structural properties of methyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1ρightarrow 4)-β-D-mannopyranoside monohydrate and related compounds Acta Crystallographica Section C 76(3) (2020)
Space group: P 21 21 21
Cell volume: 1912.14
Cell parameters: 11.417; 12.6782; 13.2102; 90; 90; 90;

COD ID: 2021990

Formula: - H4 K2 Mn3 O16 P4 -
Comments: Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V. Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry Acta Crystallographica Section C 76(3) (2020)
Space group: P 1 21/c 1
Cell volume: 708.282
Cell parameters: 9.1944; 8.3134; 9.3798; 90; 98.924; 90;

COD ID: 2021991

Formula: - Al2 H4 K Mn O14 P3 -
Comments: Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V. Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry Acta Crystallographica Section C 76(3) (2020)
Space group: C 1 2/c 1
Cell volume: 1114.86
Cell parameters: 13.3117; 10.0949; 8.7261; 90; 108.057; 90;

COD ID: 2021992

Formula: - C4 H19 Cl3 Co N4 O1.5 -
Comments: Bernal, Ivan; Lalancette, Roger A. Serendipity: Werner's argument that the `two-only forms' (green and violet) of [CoCl~2~(en)~2~]^+^ salts demanded his octahedral model was correct. True? Acta Crystallographica Section C 76(3) (2020)
Space group: P -1
Cell volume: 1224.06
Cell parameters: 8.7163; 11.1146; 14.0703; 105.54; 94.63; 108.581;

COD ID: 2021994

Formula: - C11 H9 Cl3 N6 -
Comments: Patricio-Rangel, Emmanuel Blas; Tlahuextl, Margarita; Tlahuext, Hugo; Tapia-Benavides, Antonio Rafael Synthesis and crystallographic studies of two new 1,3,5-triazines Acta Crystallographica Section C 76(4) (2020)
Space group: P -1
Cell volume: 701.43
Cell parameters: 8.1958; 8.4184; 10.5965; 97.006; 104.543; 91.138;

COD ID: 2021995

Formula: - C38 H45.75 Cl6.04 N18 O7.93 -
Comments: Patricio-Rangel, Emmanuel Blas; Tlahuextl, Margarita; Tlahuext, Hugo; Tapia-Benavides, Antonio Rafael Synthesis and crystallographic studies of two new 1,3,5-triazines Acta Crystallographica Section C 76(4) (2020)
Space group: P -1
Cell volume: 2611.81
Cell parameters: 12.8675; 14.1487; 16.5184; 75.57; 78.737; 64.33;

COD ID: 2021996

Formula: - C29 H31 N O5 -
Comments: Bojarska, Joanna; Remko, Milan; Madura, Izabela D.; Kaczmarek, Krzysztof; Zabrocki, Janusz; Wolf, Wojciech M. Synthesis, experimental and in silico studies of N-fluorenylmethoxycarbonyl-O-tert-butyl-N-methyltyrosine, coupled with CSD data: a survey of interactions in the crystal structures of Fmoc‒amino acids Acta Crystallographica Section C 76(4) (2020)
Space group: P 21 21 21
Cell volume: 2531.93
Cell parameters: 6.4917; 17.5357; 22.2418; 90; 90; 90;

COD ID: 2021997

Formula: - C10 H13 F N2 O5 -
Comments: Aher, Manisha N.; Erande, Namrata D.; Kumar, Vaijayanti A.; Fernandes, Moneesha; Gonnade, Rajesh G. Influence of fluorine substitution on the molecular conformation of 3'-deoxy-3'-fluoro-5-methyluridine Acta Crystallographica Section C 76(4) (2020)
Space group: P 21 21 21
Cell volume: 2273.81
Cell parameters: 7.0301; 17.1705; 18.8369; 90; 90; 90;

COD ID: 2021998

Formula: - C18 H16 N2 O Se -
Comments: Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1H)-selenone derivatives Acta Crystallographica Section C 76(4) (2020) 359-366
Space group: P 1 21/c 1
Cell volume: 3168.28
Cell parameters: 14.808; 15.697; 14.977; 90; 114.482; 90;

COD ID: 2021999

Formula: - C18 H16 N2 O Se -
Comments: Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1H)-selenone derivatives Acta Crystallographica Section C 76(4) (2020) 359-366
Space group: P 1 21/c 1
Cell volume: 1551.32
Cell parameters: 9.467; 10.307; 16.615; 90; 106.887; 90;

COD ID: 2022000

Formula: - C18 H16 N2 O Se -
Comments: Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1H)-selenone derivatives Acta Crystallographica Section C 76(4) (2020) 359-366
Space group: P 1 21/c 1
Cell volume: 1576.98
Cell parameters: 12.733; 8.95; 14.1399; 90; 101.862; 90;

COD ID: 2022001

Formula: - C54 H40 N4 O6 Zn -
Comments: Xue, Yun-Shan; Cheng, Wei-Wei; Chen, Zhuo-Lin; Kong, Weili; Zhang, Jun A novel three-dimensional zinc(II) coordination polymer based on 3,3'-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoic acid and 1,4-bis(pyridin-4-yl)benzene: synthesis, crystal structure and photocatalytic properties Acta Crystallographica Section C 76(4) (2020) 353-358
Space group: C 1 2/c 1
Cell volume: 8361.3
Cell parameters: 17.4164; 26.2567; 20.0775; 90; 114.401; 90;

COD ID: 2022003

Formula: - C8 H13 N3 O4 S -
Comments: Zheng, Kang; Xie, Changjian; Li, Xiaowei; Wu, Weiwei; Li, Ao; Qian, Shaosong; Pang, Qiuxiang Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole‒vanillic acid cocrystal: insights from energy frameworks Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/n 1
Cell volume: 1078.72
Cell parameters: 11.8658; 5.4786; 16.7291; 90; 97.296; 90;

COD ID: 2022004

Formula: - C16 H21 N3 O8 S -
Comments: Zheng, Kang; Xie, Changjian; Li, Xiaowei; Wu, Weiwei; Li, Ao; Qian, Shaosong; Pang, Qiuxiang Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole‒vanillic acid cocrystal: insights from energy frameworks Acta Crystallographica Section C 76(5) (2020)
Space group: P -1
Cell volume: 1842.42
Cell parameters: 11.1206; 12.6519; 13.6042; 98.078; 97.793; 99.78;

COD ID: 2022005

Formula: - C21 H13 F2 N3 O -
Comments: Park, Ki-Min; Yang, Kiyull; Moon, Suk-Hee; Kang, Youngjin Structures and photophysical properties of two luminescent bipyridine compounds: 2',6'-difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine and 2',6'-dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/c 1
Cell volume: 1639.35
Cell parameters: 11.8772; 17.2089; 8.4838; 90; 109.022; 90;

COD ID: 2022006

Formula: - C23 H19 N3 O3 -
Comments: Park, Ki-Min; Yang, Kiyull; Moon, Suk-Hee; Kang, Youngjin Structures and photophysical properties of two luminescent bipyridine compounds: 2',6'-difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine and 2',6'-dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine Acta Crystallographica Section C 76(5) (2020)
Space group: C 1 2/c 1
Cell volume: 3693.18
Cell parameters: 21.0396; 7.941; 22.5109; 90; 100.899; 90;

COD ID: 2022083

Formula: - C6 H10 Cu2 N4 O -
Comments: Koenigsmann, 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 N-methylethanolamine as the guest cation Acta Crystallographica Section C 76(5) (2020)
Space group: P 43
Cell volume: 900.89
Cell parameters: 8.8994; 8.8994; 11.375; 90; 90; 90;

COD ID: 2022084

Formula: - C23 H20 Co N4 O5 -
Comments: Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue 3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures Acta Crystallographica Section C 76(5) (2020)
Space group: I b c a
Cell volume: 4703.7
Cell parameters: 17.1976; 16.7629; 16.3162; 90; 90; 90;

COD ID: 2022085

Formula: - C54 H42 Co2 N12 O10 -
Comments: Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue 3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/c 1
Cell volume: 2471.6
Cell parameters: 8.0331; 17.6045; 17.6523; 90; 98.077; 90;

COD ID: 2022086

Formula: - C42 H40 Fe N10 O6 S2 -
Comments: Hao, Xiaoyun; Dou, Yong; Cao, Tong; Qin, Lan; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng; Zhou, Zhen Tuning of crystallization method and ligand conformation to give a mononuclear compound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand Acta Crystallographica Section C 76(5) (2020)
Space group: P -1
Cell volume: 999.87
Cell parameters: 9.0061; 10.3811; 11.683; 82.848; 84.322; 67.522;

COD ID: 2022087

Formula: - C42 H44 Fe N10 O8 S2 -
Comments: Hao, Xiaoyun; Dou, Yong; Cao, Tong; Qin, Lan; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng; Zhou, Zhen Tuning of crystallization method and ligand conformation to give a mononuclear compound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/n 1
Cell volume: 2169.2
Cell parameters: 8.3685; 17.9701; 14.8291; 90; 103.411; 90;

COD ID: 2022088

Formula: - C70 H114 N12 Ni3 O20 Si2 -
Comments: Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D. A 2D coordination polymer assembled from a nickel(II) tetraazamacrocyclic cation and 4,4'-(dimethylsilanediyl)diphthalate(3‒) linker Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/c 1
Cell volume: 4087.7
Cell parameters: 13.54; 14.0473; 22.0478; 90; 102.895; 90;

COD ID: 2022089

Formula: - H14 Na2 O10 S -
Comments: Weil, Matthias; Mereiter, Kurt Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/c 1 (c,2*a+c,b)
Cell volume: 2081.1
Cell parameters: 14.6563; 19.718; 7.2197; 90; 90; 94.0997;

COD ID: 2022090
CIF file	Formula: - H14 Na2 O10 S - Comments: Weil, Matthias; Mereiter, Kurt Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate Acta Crystallographica Section C 76(5) (2020) Space group: P 1 21/n 1 Cell volume: 1040.57 Cell parameters: 11.8576; 7.2197; 12.6965; 90; 106.794; 90;

COD ID: 2022091

Formula: - C16 H6 F4 I2 N4 -
Comments: Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric Ditopic halogen bonding with bipyrimidines and activated pyrimidines Acta Crystallographica Section C 76(5) (2020)
Space group: C 1 2/c 1
Cell volume: 3399.4
Cell parameters: 27.2812; 6.21; 20.9742; 90; 106.931; 90;

COD ID: 2022092

Formula: - C14 H6 F4 I2 N4 -
Comments: Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric Ditopic halogen bonding with bipyrimidines and activated pyrimidines Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/c 1
Cell volume: 1596.7
Cell parameters: 10.4617; 6.4681; 23.966; 90; 100.069; 90;

COD ID: 2022093

Formula: - C20 H13 F4 I2 N3 -
Comments: Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric Ditopic halogen bonding with bipyrimidines and activated pyrimidines Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/m 1
Cell volume: 1068.34
Cell parameters: 6.9939; 13.64; 11.2299; 90; 94.26; 90;

COD ID: 2022094

Formula: - C20 H13 F4 I2 N3 -
Comments: Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric Ditopic halogen bonding with bipyrimidines and activated pyrimidines Acta Crystallographica Section C 76(5) (2020)
Space group: P -1
Cell volume: 2098.8
Cell parameters: 9.174; 14.0178; 17.5605; 100.065; 95.285; 107.225;

COD ID: 2022095

Formula: - C20 H13 F4 I2 N3 -
Comments: Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric Ditopic halogen bonding with bipyrimidines and activated pyrimidines Acta Crystallographica Section C 76(5) (2020)
Space group: P -1
Cell volume: 1060.63
Cell parameters: 9.3688; 11.4346; 12.0797; 62.075; 82.31; 68.234;

COD ID: 2022096

Formula: - C26 H19 F4 I2 N3 -
Comments: Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric Ditopic halogen bonding with bipyrimidines and activated pyrimidines Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/n 1
Cell volume: 2521.9
Cell parameters: 7.2512; 20.6215; 17.1906; 90; 101.166; 90;

COD ID: 2022097

Formula: - C20 H13 F4 I2 N3 -
Comments: Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric Ditopic halogen bonding with bipyrimidines and activated pyrimidines Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/c 1
Cell volume: 2143.6
Cell parameters: 9.0191; 26.805; 9.5664; 90; 112.052; 90;

COD ID: 2022098

Formula: - C13 H16 N2 O -
Comments: Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu. Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6(1H)-ones Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/n 1
Cell volume: 1109.7
Cell parameters: 6.091; 17.016; 10.707; 90; 90.581; 90;

COD ID: 2022099

Formula: - C14 H18 N2 O -
Comments: Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu. Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6(1H)-ones Acta Crystallographica Section C 76(5) (2020)
Space group: P 1 21/n 1
Cell volume: 1217.6
Cell parameters: 10.143; 11.703; 10.776; 90; 107.84; 90;

COD ID: 2022100

Formula: - Cl3 H12 K Mg O6 -
Comments: Pannach, Melanie; Paschke, Iris; Schmidt, Horst; Freyer, Daniela; Voigt, Wolfgang Crystallization of metastable monoclinic carnallite, KCl·MgCl~2~·6H~2~O: missing structural link in the carnallite family Acta Crystallographica Section C 76(5) (2020) 507-512
Space group: C 1 2/c 1
Cell volume: 1163.5
Cell parameters: 9.251; 9.516; 13.217; 90; 90.06; 90;

COD ID: 2022101

Formula: - C30 H26 Cu N4 O8 -
Comments: Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine Acta Crystallographica Section C 76(5) (2020) 500-506
Space group: P -1
Cell volume: 700.3
Cell parameters: 8.647; 8.819; 10.125; 70.58; 79.61; 75.26;

COD ID: 2022102

Formula: - C15 H13 Cl N2 O3 -
Comments: Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine Acta Crystallographica Section C 76(5) (2020) 500-506
Space group: P 1 21/n 1
Cell volume: 2706.6
Cell parameters: 8.402; 13.243; 24.421; 90; 95.08; 90;

COD ID: 2022103

Formula: - C10 H12 I N5 O5 -
Comments: Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank 7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization Acta Crystallographica Section C 76(5) (2020) 513-523
Space group: P 1 21 1
Cell volume: 632.17
Cell parameters: 9.1086; 6.3149; 11.0428; 90; 95.585; 90;

COD ID: 2022104

Formula: - C8 H6 F4 I2 O S -
Comments: Bond, Andrew D.; Truscott, Chris L. Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene Acta Crystallographica Section C 76(5) (2020) 524-529
Space group: P n m a
Cell volume: 1271.65
Cell parameters: 12.8308; 21.3307; 4.6463; 90; 90; 90;

COD ID: 2022105

Formula: - C8 H6 F4 I2 O S -
Comments: Bond, Andrew D.; Truscott, Chris L. Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene Acta Crystallographica Section C 76(5) (2020) 524-529
Space group:
Cell volume: 1257.94
Cell parameters: 10.6731; 18.0023; 6.547; 90; 90; 90;

COD ID: 2022106

Formula: - C8 H6 F4 I2 O S -
Comments: Bond, Andrew D.; Truscott, Chris L. Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene Acta Crystallographica Section C 76(5) (2020) 524-529
Space group: P n m a
Cell volume: 1301.09
Cell parameters: 11.6799; 18.2664; 6.0984; 90; 90; 90;

COD ID: 2022107

Formula: - C10 H11 N5 -
Comments: Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands Acta Crystallographica Section C 76(4) (2020) 367-374
Space group: P 1 21/c 1
Cell volume: 2107.6
Cell parameters: 10.1953; 14.2866; 14.9027; 90; 103.845; 90;

COD ID: 2022108

Formula: - C12 H14 N6 O -
Comments: Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands Acta Crystallographica Section C 76(4) (2020) 367-374
Space group: P 1 21/n 1
Cell volume: 2557.9
Cell parameters: 8.2711; 14.0773; 22.2655; 90; 99.373; 90;

COD ID: 2022109

Formula: - C13 H16.5 N6 O1.25 -
Comments: Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands Acta Crystallographica Section C 76(4) (2020) 367-374
Space group: P -1
Cell volume: 2879.43
Cell parameters: 9.1836; 16.5814; 20.8041; 106.76; 97.854; 103.408;

COD ID: 2022110

Formula: - C13 H15 F3 N6 O4 S -
Comments: Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands Acta Crystallographica Section C 76(4) (2020) 367-374
Space group: P 1 21/n 1
Cell volume: 1808.12
Cell parameters: 8.9818; 9.5704; 21.1278; 90; 95.383; 90;

COD ID: 2022111

Formula: - C12 H13 F6 N5 O6 S2 -
Comments: Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands Acta Crystallographica Section C 76(4) (2020) 367-374
Space group: P 1 21/c 1
Cell volume: 1922.39
Cell parameters: 12.2524; 14.0242; 11.4488; 90; 102.259; 90;

COD ID: 2022112

Formula: - C12 H5 Cl4 I2 N -
Comments: Bosch, Eric; Battle, Jessica D.; Groeneman, Ryan H. Crystal structure and photoreactivity of a halogen-bonded cocrystal based upon 1,2-diiodoperchlorobenzene and 1,2-bis(pyridin-4-yl)ethylene Acta Crystallographica Section C 76(6) (2020)
Space group: P -1
Cell volume: 767.2
Cell parameters: 4.1177; 13.502; 14.151; 78.864; 83.719; 87.935;

COD ID: 2022113

Formula: - C10 H20 Bi Cl7 N6 O -
Comments: Senior, Levi; Linden, Anthony Halobismuth(III) salts with substituted aminopyridinium cations Acta Crystallographica Section C 76(6) (2020)
Space group: P -1
Cell volume: 1084.89
Cell parameters: 9.1612; 10.8591; 11.7273; 94.303; 101.914; 106.254;

COD ID: 2022114

Formula: - C24 H36 Bi2 Cl10 N8 -
Comments: Senior, Levi; Linden, Anthony Halobismuth(III) salts with substituted aminopyridinium cations Acta Crystallographica Section C 76(6) (2020)
Space group: P -1
Cell volume: 951.8
Cell parameters: 8.8144; 8.9982; 12.344; 76.784; 87.111; 88.514;

COD ID: 2022115

Formula: - C24 H36 Bi2 Br10 N8 -
Comments: Senior, Levi; Linden, Anthony Halobismuth(III) salts with substituted aminopyridinium cations Acta Crystallographica Section C 76(6) (2020)
Space group: P -1
Cell volume: 1020.22
Cell parameters: 9.2145; 9.0678; 12.6314; 75.476; 86.926; 89.221;

COD ID: 2022116

Formula: - C10 H22 Bi2 Cl10 N6 O2 -
Comments: Senior, Levi; Linden, Anthony Halobismuth(III) salts with substituted aminopyridinium cations Acta Crystallographica Section C 76(6) (2020)
Space group: C 1 2/c 1
Cell volume: 2842.05
Cell parameters: 18.0583; 12.0745; 13.438; 90; 104.08; 90;

COD ID: 2022117

Formula: - C5 H8 Bi I4 N3 -
Comments: Senior, Levi; Linden, Anthony Halobismuth(III) salts with substituted aminopyridinium cations Acta Crystallographica Section C 76(6) (2020)
Space group: P 1 21/n 1
Cell volume: 1439.01
Cell parameters: 12.02106; 7.8088; 15.3298; 90; 90.053; 90;

COD ID: 2022118

Formula: - C5 H7 Bi Br4 N2 -
Comments: Senior, Levi; Linden, Anthony Halobismuth(III) salts with substituted aminopyridinium cations Acta Crystallographica Section C 76(6) (2020)
Space group: P 1 21/c 1
Cell volume: 1203.25
Cell parameters: 11.6622; 14.08143; 7.35193; 90; 94.7149; 90;

COD ID: 2022119

Formula: - C47 H45 N9 O11 Zn2 -
Comments: Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties Acta Crystallographica Section C 76(6) (2020)
Space group: C 1 2/c 1
Cell volume: 4565.2
Cell parameters: 12.3143; 16.3192; 23.367; 90; 103.545; 90;

COD ID: 2022120

Formula: - C44 H36 N8 O9 Zn2 -
Comments: Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties Acta Crystallographica Section C 76(6) (2020)
Space group: F d d 2
Cell volume: 8509.3
Cell parameters: 12.436; 24.0412; 28.4613; 90; 90; 90;

COD ID: 2022121

Formula: - C9 H14 Cl N5 -
Comments: Kaabi, Kamel; Klai, Kacem; Wenger, Emmanuel; Jelsch, Christian; Lefebvre, Frédéric; Nasr, Cherif Ben Synthesis, structural elucidation, characterization and theoretical DFT study of 1-(o-tolyl)biguanidium chloride Acta Crystallographica Section C 76(6) (2020)
Space group: C 1 2/c 1
Cell volume: 2339.54
Cell parameters: 18.464; 13.7652; 9.3158; 90; 98.847; 90;

COD ID: 2022122

Formula: - C12 H10 I2 Se Te2 -
Comments: Torubaev, Yury V. Chimeric supramolecular synthons in Ph~2~Te~2~(I~2~)Se Acta Crystallographica Section C 76(6) (2020)
Space group: P 1 21/c 1
Cell volume: 1634.1
Cell parameters: 12.98; 16.037; 7.8571; 90; 92.406; 90;

COD ID: 2022123

Formula: - C7 H6 Cl N O2 -
Comments: Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br) Acta Crystallographica Section C 76(6) (2020)
Space group: P 1 21/c 1
Cell volume: 733.26
Cell parameters: 11.7867; 4.4744; 15.0453; 90; 112.464; 90;

COD ID: 2022124

Formula: - C7 H6 Cl N O2 -
Comments: Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br) Acta Crystallographica Section C 76(6) (2020)
Space group: P 1 21/c 1
Cell volume: 729.9
Cell parameters: 11.785; 4.469; 15.004; 90; 112.537; 90;

COD ID: 2022125

Formula: - C7 H6 Br N O2 -
Comments: Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br) Acta Crystallographica Section C 76(6) (2020)
Space group: P 1 21/c 1
Cell volume: 756.87
Cell parameters: 12.1412; 4.4763; 15.0876; 90; 112.626; 90;

COD ID: 2022126

Formula: - C7 H6 Br N O2 -
Comments: Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br) Acta Crystallographica Section C 76(6) (2020)
Space group: P 1 21/c 1
Cell volume: 756
Cell parameters: 12.152; 4.47; 15.07; 90; 112.56; 90;

COD ID: 2022127

Formula: - C49.25 H44 N O7.25 -
Comments: Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand Acta Crystallographica Section C 76(6) (2020)
Space group: P 1
Cell volume: 995.97
Cell parameters: 9.738; 9.9295; 10.803; 75.924; 79.438; 86.77;

COD ID: 2022128

Formula: - C48 H43 Cd N O9 -
Comments: Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand Acta Crystallographica Section C 76(6) (2020)
Space group: P -1
Cell volume: 2367.86
Cell parameters: 10.557; 11.7711; 20.7242; 89.106; 87.402; 66.982;

COD ID: 2022129

Formula: - C48 H37 N O7 Zn2 -
Comments: Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand Acta Crystallographica Section C 76(6) (2020)
Space group: P 1 21/c 1
Cell volume: 4745.71
Cell parameters: 6.16863; 34.8853; 22.0643; 90; 91.825; 90;

COD ID: 2022130

Formula: - C9 H12 N4 O6 -
Comments: Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO~2~(lone pair)···NO~2~(π-hole) supramolecular bonding Acta Crystallographica Section C 76(6) (2020)
Space group: P 3
Cell volume: 836.01
Cell parameters: 12.7917; 12.7917; 5.8996; 90; 90; 120;

COD ID: 2022131

Formula: - C40 H24 Co2 N2 O8 -
Comments: Dou, Yong; Yang, Lu; Qin, Lan; Dong, Yunhui; Zhou, Zhen; Zhang, Daopeng; Wang, Suna Self-assembly of a cobalt(II)-based metal‒organic framework as an effective water-splitting heterogeneous catalyst for light-driven hydrogen production Acta Crystallographica Section C 76(6) (2020)
Space group: P m m a
Cell volume: 2128.5
Cell parameters: 11.857; 12.936; 13.877; 90; 90; 90;

COD ID: 2022133

Formula: - C6 H10 F2 N2 O -
Comments: Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides Acta Crystallographica Section C 76(5) (2020) 468-475
Space group: P 1 21/m 1
Cell volume: 367.37
Cell parameters: 7.9253; 5.9962; 8.433; 90; 113.551; 90;

COD ID: 2022134

Formula: - C6 H9 Br N2 O -
Comments: Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides Acta Crystallographica Section C 76(5) (2020) 468-475
Space group: P n m a
Cell volume: 790.7
Cell parameters: 14.4984; 6.722; 8.113; 90; 90; 90;

COD ID: 2022135

Formula: - C6 H9 I N2 O -
Comments: Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides Acta Crystallographica Section C 76(5) (2020) 468-475
Space group: P 1 2/n 1
Cell volume: 440.78
Cell parameters: 7.1803; 7.2139; 8.6574; 90; 100.603; 90;

COD ID: 2022136

Formula: - C7 H13 I N4 O2 -
Comments: Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides Acta Crystallographica Section C 76(5) (2020) 468-475
Space group: P 1 21/c 1
Cell volume: 1133.6
Cell parameters: 8.772; 11.5579; 14.07; 90; 127.378; 90;

COD ID: 2022137

Formula: - C7 H14 F2 N4 S2 -
Comments: Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides Acta Crystallographica Section C 76(5) (2020) 468-475
Space group: P 1 21/m 1
Cell volume: 584.14
Cell parameters: 6.3876; 8.8268; 10.5; 90; 99.355; 90;

COD ID: 2022138

Formula: - C6 H9 Br N2 S -
Comments: Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides Acta Crystallographica Section C 76(5) (2020) 468-475
Space group: C 1 2/c 1
Cell volume: 851.35
Cell parameters: 8.4675; 14.9142; 6.8814; 90; 101.575; 90;

COD ID: 2022139

Formula: - C6 H9 I N2 S -
Comments: Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides Acta Crystallographica Section C 76(5) (2020) 468-475
Space group: C m c m
Cell volume: 930.8
Cell parameters: 8.7198; 15.095; 7.0716; 90; 90; 90;

COD ID: 2022140

Formula: - C16 H12 O5 -
Comments: De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D. Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin Acta Crystallographica Section C 76(5) (2020) 490-499
Space group: P 1 21/n 1
Cell volume: 1234.2
Cell parameters: 3.8224; 19.5339; 16.536; 90; 91.604; 90;

COD ID: 2022141

Formula: - C16 H12 O5 -
Comments: De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D. Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin Acta Crystallographica Section C 76(5) (2020) 490-499
Space group: P 1 21/c 1
Cell volume: 1287.92
Cell parameters: 9.78509; 15.8032; 8.33104; 90; 91.3453; 90;

COD ID: 2022142

Formula: - C16 H14 O6 -
Comments: De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D. Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin Acta Crystallographica Section C 76(5) (2020) 490-499
Space group: P 21 21 21
Cell volume: 1398.32
Cell parameters: 4.64835; 16.4123; 18.329; 90; 90; 90;

COD ID: 2022143

Formula: - C16 H14.5 O6.25 -
Comments: De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D. Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin Acta Crystallographica Section C 76(5) (2020) 490-499
Space group: P 1 21/n 1
Cell volume: 1379.98
Cell parameters: 4.39382; 18.7848; 16.8308; 90; 96.5918; 90;

COD ID: 2022144

Formula: - C15 H9 N3 O2 -
Comments: Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher Conversion of 3-amino-4-arylamino-1H-isochromen-1-ones to 1-arylisochromeno[3,4-d][1,2,3]triazol-5(1H)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative Acta Crystallographica Section C 76(5) (2020) 446-453
Space group: P 1 21/n 1
Cell volume: 1185.47
Cell parameters: 11.6814; 6.431; 16.0589; 90; 100.687; 90;

COD ID: 2022145

Formula: - C16 H11 N3 O2 -
Comments: Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher Conversion of 3-amino-4-arylamino-1H-isochromen-1-ones to 1-arylisochromeno[3,4-d][1,2,3]triazol-5(1H)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative Acta Crystallographica Section C 76(5) (2020) 446-453
Space group: P 1 21/n 1
Cell volume: 1306.33
Cell parameters: 7.5676; 20.2663; 9.2503; 90; 112.957; 90;

COD ID: 2022146

Formula: - C15 H8 Cl N3 O2 -
Comments: Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher Conversion of 3-amino-4-arylamino-1H-isochromen-1-ones to 1-arylisochromeno[3,4-d][1,2,3]triazol-5(1H)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative Acta Crystallographica Section C 76(5) (2020) 446-453
Space group: P 1 21/c 1
Cell volume: 1265.04
Cell parameters: 11.0993; 12.8996; 9.2234; 90; 106.675; 90;

COD ID: 2022147

Formula: - C15 H8 Cl N3 O2 -
Comments: Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher Conversion of 3-amino-4-arylamino-1H-isochromen-1-ones to 1-arylisochromeno[3,4-d][1,2,3]triazol-5(1H)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative Acta Crystallographica Section C 76(5) (2020) 446-453
Space group: P 1 21/c 1
Cell volume: 1259.21
Cell parameters: 16.7331; 5.9676; 13.681; 90; 112.82; 90;

COD ID: 2022148

Formula: - C17 H15 N3 O3 -
Comments: Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher Conversion of 3-amino-4-arylamino-1H-isochromen-1-ones to 1-arylisochromeno[3,4-d][1,2,3]triazol-5(1H)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative Acta Crystallographica Section C 76(5) (2020) 446-453
Space group: P 1 21/c 1
Cell volume: 1462.46
Cell parameters: 11.1518; 9.3143; 14.2417; 90; 98.655; 90;

COD ID: 2022149

Formula: - C24 H21 N O4 -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: C 1 2/c 1
Cell volume: 4001.7
Cell parameters: 18.7572; 13.2095; 16.75; 90; 105.374; 90;

COD ID: 2022150

Formula: - C25 H24 N2 O3 -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: P -1
Cell volume: 1001.55
Cell parameters: 9.1028; 10.6434; 11.2539; 88.988; 68.422; 81.352;

COD ID: 2022151

Formula: - C22 H18 N2 O3 -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: P -1
Cell volume: 864.3
Cell parameters: 7.8838; 10.1766; 11.8719; 87.554; 75.996; 69.428;

COD ID: 2022152

Formula: - C24 H19 N O5 -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: P -1
Cell volume: 1951.7
Cell parameters: 11.8136; 12.4987; 13.5976; 93.084; 101.883; 95.055;

COD ID: 2022153

Formula: - C23 H16 F N O2 -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: P 1 21/c 1
Cell volume: 1690
Cell parameters: 7.6021; 20.488; 10.9319; 90; 96.986; 90;

COD ID: 2022154

Formula: - C24 H19 N O3 -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: P 1 21/n 1
Cell volume: 1774.05
Cell parameters: 4.9743; 29.1957; 12.4406; 90; 100.914; 90;

COD ID: 2022155

Formula: - C22 H16 N2 O2 -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: P 1 21/n 1
Cell volume: 1681.7
Cell parameters: 7.3457; 18.0675; 13.1813; 90; 105.994; 90;

COD ID: 2022156

Formula: - C21 H15 N O2 S -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: P b c a
Cell volume: 3273.4
Cell parameters: 17.5058; 8.8163; 21.2092; 90; 90; 90;

COD ID: 2022157

Formula: - C23 H15 Cl2 N O2 -
Comments: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products Acta Crystallographica Section C 76(5) (2020) 433-445
Space group: P -1
Cell volume: 921.34
Cell parameters: 8.201; 9.7629; 12.174; 76.755; 87.675; 76.211;

COD ID: 2022158

Formula: - C22 H18 Cu N4 O2 S2 -
Comments: Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study Acta Crystallographica Section C 76(7) (2020)
Space group: P 32 2 1
Cell volume: 1650.4
Cell parameters: 9.794; 9.794; 19.8673; 90; 90; 120;

COD ID: 2022159

Formula: - C24 H24 Cu2 N4 O4 S2 -
Comments: Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study Acta Crystallographica Section C 76(7) (2020)
Space group: P -1
Cell volume: 657.73
Cell parameters: 7.505; 7.9967; 11.9102; 76.112; 71.827; 82.057;

COD ID: 2022160

Formula: - C11 H28 Co I2 N5 O3 -
Comments: Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21 1
Cell volume: 962.07
Cell parameters: 9.4554; 9.901; 10.3668; 90; 97.567; 90;

COD ID: 2022161

Formula: - C11 H24 Cl2 Co N5 O6 -
Comments: Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/n 1
Cell volume: 1811.5
Cell parameters: 13.6098; 11.1177; 13.6429; 90; 118.651; 90;

COD ID: 2022162

Formula: - C10 H25 Cl2 Co N6 O7 -
Comments: Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains Acta Crystallographica Section C 76(7) (2020)
Space group: P b c a
Cell volume: 3484
Cell parameters: 11.5455; 11.8865; 25.3868; 90; 90; 90;

COD ID: 2022165

Formula: - C40 H24 Cl Mn N8 -
Comments: Wen-Tong Chen A one-dimensional manganese(III)‒porphyrin coordination polymer: crystal structure and photophysical properties Acta Crystallographica, Section C 76(5) (2020) 375-380
Space group: P 1 21/n 1
Cell volume: 3157.1
Cell parameters: 9.5189; 14.245; 23.4079; 90; 95.92; 90;

COD ID: 2022166

Formula: - C21 H19 N O3 -
Comments: Hillman, Zachary E.; Tanski, Joseph M.; Roberts, Andrea Crystal and geometry-optimized structure of an anthracene-based Diels‒Alder adduct Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/c 1
Cell volume: 1656.7
Cell parameters: 12.211; 8.1447; 17.6634; 90; 109.43; 90;

COD ID: 2022167

Formula: - C13 H21 N O2 -
Comments: Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa The conformational analyses of 2-amino-N-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/n 1
Cell volume: 2598.99
Cell parameters: 7.2657; 14.4917; 24.6836; 90; 90.042; 90;

COD ID: 2022168

Formula: - C19 H26 N2 O4 -
Comments: Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa The conformational analyses of 2-amino-N-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments Acta Crystallographica Section C 76(7) (2020)
Space group: P -1
Cell volume: 910.2
Cell parameters: 6.5225; 12.7734; 12.8431; 118.954; 91.292; 101.139;

COD ID: 2022169

Formula: - C13 H22 Cl N O2 -
Comments: Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa The conformational analyses of 2-amino-N-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21 1
Cell volume: 679.92
Cell parameters: 7.0226; 7.9585; 12.5188; 90; 103.645; 90;

COD ID: 2022170

Formula: - C19 H26 N2 O4 -
Comments: Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa The conformational analyses of 2-amino-N-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments Acta Crystallographica Section C 76(7) (2020)
Space group: P 41 21 2
Cell volume: 3838.67
Cell parameters: 10.9828; 10.9828; 31.824; 90; 90; 90;

COD ID: 2022171

Formula: - C20 H21 F3 N4 O3 S -
Comments: Bond, Andrew D.; Sun, Changquan C. Intermolecular interactions and disorder in six isostructural celecoxib solvates Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/c 1
Cell volume: 2231.75
Cell parameters: 11.8973; 8.836; 21.8286; 90; 103.454; 90;

COD ID: 2022172

Formula: - C21 H23 F3 N4 O3 S -
Comments: Bond, Andrew D.; Sun, Changquan C. Intermolecular interactions and disorder in six isostructural celecoxib solvates Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/c 1
Cell volume: 2278.41
Cell parameters: 11.9584; 9.2028; 21.2811; 90; 103.383; 90;

COD ID: 2022173

Formula: - C22 H23 F3 N4 O3 S -
Comments: Bond, Andrew D.; Sun, Changquan C. Intermolecular interactions and disorder in six isostructural celecoxib solvates Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/c 1
Cell volume: 2349.36
Cell parameters: 11.9978; 9.0896; 21.9732; 90; 101.358; 90;

COD ID: 2022174

Formula: - C22 H26 F3 N5 O3 S -
Comments: Bond, Andrew D.; Sun, Changquan C. Intermolecular interactions and disorder in six isostructural celecoxib solvates Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/c 1
Cell volume: 2473.36
Cell parameters: 12.405; 8.9351; 22.5727; 90; 98.6702; 90;

COD ID: 2022175

Formula: - C23 H26 F3 N5 O3 S -
Comments: Bond, Andrew D.; Sun, Changquan C. Intermolecular interactions and disorder in six isostructural celecoxib solvates Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/c 1
Cell volume: 2453.8
Cell parameters: 12.4495; 8.7822; 22.656; 90; 97.861; 90;

COD ID: 2022176

Formula: - C19 H20 F3 N3 O3 S2 -
Comments: Bond, Andrew D.; Sun, Changquan C. Intermolecular interactions and disorder in six isostructural celecoxib solvates Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/c 1
Cell volume: 2218.78
Cell parameters: 11.9884; 9.023; 20.8537; 90; 100.391; 90;

COD ID: 2022177

Formula: - C44 H45 Cl4 Fe5 N42 O7 -
Comments: Deng, Qianjun; Wang, Jiming; Li, Guangzhao; Zhang, Shuhua Synthesis, structure and magnetism of a new ionic pentanuclear iron cluster Acta Crystallographica Section C 76(7) (2020)
Space group: P 1 21/n 1
Cell volume: 6414.6
Cell parameters: 11.2862; 29.3083; 19.6024; 90; 98.393; 90;

COD ID: 2022179

Formula: - C34 H36 N4 O6 S2 -
Comments: Fang, Zong-Bin; Zhang, Bin; Yang, Qi-Zheng; Zheng, Wenxu; Hu, Xiao-Lin; Huang, Xi-He; Huang, Chang-Cang; Zhuang, Nai-Feng; Wu, Shu-Ting Solvent-assisted planar structure of a stilbene-based salicylhydrazone compound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/c 1
Cell volume: 1615
Cell parameters: 4.7581; 18.599; 18.266; 90; 92.409; 90;

COD ID: 2022180

Formula: - C22 H16 O2 -
Comments: Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives Acta Crystallographica Section C 76(8) (2020)
Space group: C 1 2/c 1
Cell volume: 3246.2
Cell parameters: 10.2487; 16.3033; 19.7539; 90; 100.42; 90;

COD ID: 2022181

Formula: - C23 H18 O2 -
Comments: Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/c 1
Cell volume: 1715.85
Cell parameters: 16.6799; 7.9102; 13.1511; 90; 98.558; 90;

COD ID: 2022182

Formula: - C23 H18 O2 -
Comments: Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 850.24
Cell parameters: 8.9094; 9.6578; 10.9044; 104.378; 109.425; 91.902;

COD ID: 2022183

Formula: - C23 H18 O3 -
Comments: Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/n 1
Cell volume: 5225.33
Cell parameters: 23.4111; 8.0027; 28.1094; 90; 97.156; 90;

COD ID: 2022184

Formula: - C16 H12 O2 -
Comments: Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 582.31
Cell parameters: 7.7718; 8.6069; 9.0857; 89.744; 84.862; 74.199;

COD ID: 2022185

Formula: - C17 H14 O3 -
Comments: Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 1293.01
Cell parameters: 7.557; 12.3558; 14.4044; 82.748; 87.126; 75.768;

COD ID: 2022186
CIF file HKL data	Formula: - C18 H16 Cl N2 Na O8 S - Comments: Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian Two monosodium salt hydrates of Colour Index Pigment Red 48 Acta Crystallographica Section C Structural Chemistry 76(8) (2020) Space group: P 1 21/c 1 Cell volume: 1911 Cell parameters: 18.5318; 5.9396; 17.4426; 90; 95.528; 90;

COD ID: 2022187
CIF file HKL data	Formula: - C18 H14 Cl N2 Na O7 S - Comments: Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian Two monosodium salt hydrates of Colour Index Pigment Red 48 Acta Crystallographica Section C Structural Chemistry 76(8) (2020) Space group: P 1 21/c 1 Cell volume: 1834.66 Cell parameters: 18.2222; 5.9486; 16.9361; 90; 92.037; 90;

COD ID: 2022188

Formula: - C H14 Cl2 Mg2 O10 -
Comments: Rincke, Christine; Schmidt, Horst; Buth, Gernot; Voigt, Wolfgang Crystal structure and characterization of magnesium carbonate chloride heptahydrate Acta Crystallographica Section C 76(8) (2020)
Space group: C 1 c 1
Cell volume: 1222.1
Cell parameters: 13.368; 11.262; 9.266; 90; 118.83; 90;

COD ID: 2022189

Formula: - C27 H25 Ce N2 O10 -
Comments: Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 1403.1
Cell parameters: 10.9515; 11.2204; 12.287; 103.223; 100.928; 100.379;

COD ID: 2022190

Formula: - C27 H25 N2 O10 Pr -
Comments: Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 1400.1
Cell parameters: 10.9076; 11.1726; 12.3717; 102.985; 101.259; 100.483;

COD ID: 2022191

Formula: - C27 H25 N2 Nd O10 -
Comments: Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 1395.4
Cell parameters: 10.8669; 11.1173; 12.4442; 102.564; 101.643; 100.661;

COD ID: 2022192

Formula: - C27 H25 N2 O10 Sm -
Comments: Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 1398.9
Cell parameters: 10.7827; 10.9479; 12.7964; 100.735; 103.054; 101.521;

COD ID: 2022193

Formula: - C27 H25 Eu N2 O10 -
Comments: Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 1402.73
Cell parameters: 10.7597; 10.9088; 12.9291; 100.285; 103.621; 101.711;

COD ID: 2022194

Formula: - C27 H25 Gd N2 O10 -
Comments: Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 1393.5
Cell parameters: 10.722; 10.87; 12.949; 100.12; 103.89; 101.79;

COD ID: 2022195

Formula: - C32 H50 N16 O51 Si W12 -
Comments: Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V. Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates Acta Crystallographica Section C 76(8) (2020)
Space group: C 1 c 1
Cell volume: 6844.9
Cell parameters: 15.8623; 20.7547; 21.8096; 90; 107.576; 90;

COD ID: 2022196

Formula: - C24 H36 N12 O47.5 P W12 -
Comments: Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V. Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/n 1
Cell volume: 5994.5
Cell parameters: 10.8071; 23.4412; 23.6644; 90; 90.72; 90;

COD ID: 2022197

Formula: - C28 H30 Cl N3 O2 S2 -
Comments: Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/c 1
Cell volume: 2571.33
Cell parameters: 14.1669; 10.7145; 17.135; 90; 98.654; 90;

COD ID: 2022198

Formula: - C30 H26 Cl N3 O2 S2 -
Comments: Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation Acta Crystallographica Section C 76(8) (2020)
Space group: P n a 21
Cell volume: 2677.44
Cell parameters: 8.2419; 28.0429; 11.5843; 90; 90; 90;

COD ID: 2022199

Formula: - Gd Hf K2 O12 P3 -
Comments: Nan, Hua; Chen, Li; Zhang, Rui-Juan; Zhao, Dan A new langbeinite-type phosphate K~2~GdHf(PO~4~)~3~: synthesis, crystal structure, band structure and luminescence properties Acta Crystallographica Section C 76(8) (2020)
Space group: P 21 3
Cell volume: 1098.43
Cell parameters: 10.3179; 10.3179; 10.3179; 90; 90; 90;

COD ID: 2022200

Formula: - C19 H22 N4 O3 S -
Comments: Obydennov, 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-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 958.4
Cell parameters: 9.1209; 9.6732; 11.958; 104.763; 100.147; 103.858;

COD ID: 2022201

Formula: - C19 H22 N4 O4 S -
Comments: Obydennov, 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-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 990.84
Cell parameters: 9.1304; 9.9986; 11.8551; 107.458; 99.719; 99.414;

COD ID: 2022202

Formula: - C19 H22 N4 O3 S -
Comments: Obydennov, 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-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21 1
Cell volume: 946.17
Cell parameters: 5.8289; 18.094; 9.0173; 90; 95.799; 90;

COD ID: 2022203

Formula: - C20 H24 N4 O4 S -
Comments: Obydennov, 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-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity Acta Crystallographica Section C 76(8) (2020)
Space group: P c a 21
Cell volume: 2095.12
Cell parameters: 28.5394; 8.0288; 9.1435; 90; 90; 90;

COD ID: 2022204

Formula: - C17 H20 N4 O3 S -
Comments: Obydennov, 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-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/c 1
Cell volume: 1774.44
Cell parameters: 8.0154; 14.2211; 15.9349; 90; 102.337; 90;

COD ID: 2022205

Formula: - C22 H22 N4 O3 S -
Comments: Obydennov, 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-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity Acta Crystallographica Section C 76(8) (2020)
Space group: C 1 2/c 1
Cell volume: 4070.7
Cell parameters: 25.4485; 8.9445; 19.0694; 90; 110.315; 90;

COD ID: 2022206

Formula: - C21 H20 N4 O4 S -
Comments: Obydennov, 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-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity Acta Crystallographica Section C 76(8) (2020)
Space group: P -1
Cell volume: 1017.32
Cell parameters: 9.2791; 11.1445; 11.4872; 65.567; 73.829; 73.034;

COD ID: 2022207

Formula: - C13 H13 F N2 O3 -
Comments: Cleetus, 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 76(8) (2020)
Space group: C 1 2/c 1
Cell volume: 2539.4
Cell parameters: 16.0881; 7.1958; 23.177; 90; 108.838; 90;

COD ID: 2022208

Formula: - C53 H52 Cl4 F4 N8 O12 -
Comments: Cleetus, 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 76(8) (2020)
Space group: P 1 2/n 1
Cell volume: 2666.89
Cell parameters: 16.207; 9.1642; 17.963; 90; 91.607; 90;

COD ID: 2022209

Formula: - C15 H17 F N2 O4 -
Comments: Cleetus, 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 76(8) (2020)
Space group: P -1
Cell volume: 731.44
Cell parameters: 7.3353; 8.9091; 12.5006; 82.389; 79.38; 65.898;

COD ID: 2022210

Formula: - C15 H11 I N2 O2 S -
Comments: Kolade, 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-b][1,2,4]benzothiadiazine 12,12-dioxide and its precursors Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/c 1
Cell volume: 1453.03
Cell parameters: 10.9586; 10.2679; 12.9392; 90; 93.624; 90;

COD ID: 2022211

Formula: - C15 H14 N2 O4 S -
Comments: Kolade, 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-b][1,2,4]benzothiadiazine 12,12-dioxide and its precursors Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/n 1
Cell volume: 1462.1
Cell parameters: 10.048; 13.802; 10.543; 90; 90.487; 90;

COD ID: 2022212

Formula: - C15 H16 N2 O2 S -
Comments: Kolade, 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-b][1,2,4]benzothiadiazine 12,12-dioxide and its precursors Acta Crystallographica Section C 76(8) (2020)
Space group: P 1 21/n 1
Cell volume: 1410.13
Cell parameters: 10.3376; 12.6151; 10.885; 90; 96.59; 90;

COD ID: 2022213

Formula: - C5 H10 Cl2 N8 -
Comments: Li, 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 76(8) (2020)
Space group: C 1 2/c 1
Cell volume: 1045.8
Cell parameters: 18.962; 5.9225; 11.6649; 90; 127.027; 90;

COD ID: 2022214

Formula: - C10 H11 N5 O -
Comments: Shishkina, 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 76(8) (2020)
Space group: P -1
Cell volume: 512.82
Cell parameters: 8.4476; 8.5662; 8.6125; 110.812; 115.048; 92.854;

COD ID: 2022215

Formula: - C10 H11 N5 O -
Comments: Shishkina, 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 76(8) (2020)
Space group: P 21 21 21
Cell volume: 1058.1
Cell parameters: 4.824; 8.2685; 26.527; 90; 90; 90;

COD ID: 2022216

Formula: - C29 H27 N5 O5 Zn -
Comments: Chen, 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 76(9) (2020)
Space group: P -1
Cell volume: 2802
Cell parameters: 11.588; 11.995; 20.431; 80.65; 89.97; 89.99;

COD ID: 2022217

Formula: - C40.5 H54 Fe N21 O2.5 -
Comments: Hao, 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 76(9) (2020)
Space group: P -1
Cell volume: 2384
Cell parameters: 12.5006; 12.7609; 15.0775; 84.538; 86.265; 85.919;

COD ID: 2022218

Formula: - C20 H40 B N5 O8 -
Comments: Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D. Chiral anionic layers in tartramide spiroborate salts and variable solvation for [NR~4~][B(TarNH~2~)~2~] (R = Et, Pr or Bu) Acta Crystallographica Section C 76(7) (2020) 695-705
Space group: P 1 21 1
Cell volume: 1235.11
Cell parameters: 9.72506; 13.58223; 10.4099; 90; 116.071; 90;

COD ID: 2022219

Formula: - C16 H44.75 B N5 O14.375 -
Comments: Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D. Chiral anionic layers in tartramide spiroborate salts and variable solvation for [NR~4~][B(TarNH~2~)~2~] (R = Et, Pr or Bu) Acta Crystallographica Section C 76(7) (2020) 695-705
Space group: P 21 21 21
Cell volume: 5638.9
Cell parameters: 10.40272; 17.5277; 30.9259; 90; 90; 90;

COD ID: 2022220

Formula: - C26 H55 B N5 O9.5 -
Comments: Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D. Chiral anionic layers in tartramide spiroborate salts and variable solvation for [NR~4~][B(TarNH~2~)~2~] (R = Et, Pr or Bu) Acta Crystallographica Section C 76(7) (2020) 695-705
Space group: P 1 21 1
Cell volume: 1634.05
Cell parameters: 11.49802; 10.19256; 14.65365; 90; 107.916; 90;

COD ID: 2022221

Formula: - C25 H45 B N6 O9 -
Comments: Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D. Chiral anionic layers in tartramide spiroborate salts and variable solvation for [NR~4~][B(TarNH~2~)~2~] (R = Et, Pr or Bu) Acta Crystallographica Section C 76(7) (2020) 695-705
Space group: P 21 21 21
Cell volume: 2884.77
Cell parameters: 10.41666; 15.3809; 18.0053; 90; 90; 90;

COD ID: 2022222

Formula: - C64 H82 Br2 Cu N4 O4 -
Comments: Nalaoh, 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 76(7) (2020) 647-654
Space group: P -1
Cell volume: 1428.23
Cell parameters: 10.2725; 12.254; 12.7472; 109.923; 105.202; 94.953;

COD ID: 2022223

Formula: - C68 H58 Co4 N12 O26 -
Comments: Li, 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 76(9) (2020)
Space group: P -1
Cell volume: 1650.6
Cell parameters: 10.66; 12.24; 14.649; 109.48; 107.32; 98.87;

COD ID: 2022224

Formula: - Ba2 P2 Zn -
Comments: Balvanz, Adam; Baranets, Sviatoslav; Bobev, Svilen Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba~2~ZnP~2~ Acta Crystallographica Section C 76(9) (2020)
Space group: I b a m
Cell volume: 565.4
Cell parameters: 6.756; 13.108; 6.385; 90; 90; 90;

COD ID: 2022225

Formula: - C21 H19 N O2 -
Comments: Rodríguez, 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 76(9) (2020)
Space group: P 1 21/c 1
Cell volume: 1690.47
Cell parameters: 8.2595; 6.4279; 31.9064; 90; 93.674; 90;

COD ID: 2022226

Formula: - C20 H16 Br N O -
Comments: Rodríguez, 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 76(9) (2020)
Space group: P 1 21/c 1
Cell volume: 1670.85
Cell parameters: 8.0849; 6.6692; 31.1063; 90; 95.005; 90;

COD ID: 2022227

Formula: - C21 H16 F3 N O -
Comments: Rodríguez, 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 76(9) (2020)
Space group: P 1 21/c 1
Cell volume: 1727.05
Cell parameters: 8.0822; 6.6567; 32.1024; 90; 90.576; 90;

COD ID: 2022228

Formula: - C22 H21 N O3 -
Comments: Rodríguez, 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 76(9) (2020)
Space group: P -1
Cell volume: 902.23
Cell parameters: 9.5301; 10.3513; 10.3621; 65.374; 86.583; 76.376;

COD ID: 2022229

Formula: - C21 H18 Br N O2 -
Comments: Rodríguez, 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 76(9) (2020)
Space group: P 1 21/n 1
Cell volume: 1849
Cell parameters: 9.5709; 10.6119; 18.2074; 90; 90.939; 90;

COD ID: 2022230

Formula: - C22 H18 F3 N O2 -
Comments: Rodríguez, 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 76(9) (2020)
Space group: P -1
Cell volume: 903.08
Cell parameters: 8.7465; 9.9436; 11.1116; 105.446; 99.763; 97.204;

COD ID: 2022231

Formula: - C26 H21 N O -
Comments: Rodríguez, 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 76(9) (2020)
Space group: P b c a
Cell volume: 3956
Cell parameters: 13.273; 14.8012; 20.137; 90; 90; 90;

COD ID: 2022232

Formula: - C28 H23 N O -
Comments: Rodríguez, 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 76(9) (2020)
Space group: P 1 21/n 1
Cell volume: 2205.8
Cell parameters: 10.8168; 17.3361; 12.8892; 90; 114.132; 90;

COD ID: 2022233

Formula: - C15 H8 Br F O3 -
Comments: Cong, 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 in vitro cytotoxicity testing of some 2-aroylbenzofuran-3-ols Acta Crystallographica Section C 76(9) (2020)
Space group: P 1 21/c 1
Cell volume: 1250.4
Cell parameters: 3.8598; 11.7229; 27.679; 90; 93.255; 90;

COD ID: 2022234

Formula: - C15 H8 Br Cl O3 -
Comments: Cong, 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 in vitro cytotoxicity testing of some 2-aroylbenzofuran-3-ols Acta Crystallographica Section C 76(9) (2020)
Space group: P 1 21/c 1
Cell volume: 2673.35
Cell parameters: 26.4034; 3.9818; 26.2773; 90; 104.605; 90;

COD ID: 2022235

Formula: - C15 H8 Br2 O3 -
Comments: Cong, 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 in vitro cytotoxicity testing of some 2-aroylbenzofuran-3-ols Acta Crystallographica Section C 76(9) (2020)
Space group: P -1
Cell volume: 696.98
Cell parameters: 7.0725; 7.0884; 14.6069; 92.23; 103.091; 101.219;

COD ID: 2022236

Formula: - C15 H8 Br I O3 -
Comments: Cong, 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 in vitro cytotoxicity testing of some 2-aroylbenzofuran-3-ols Acta Crystallographica Section C 76(9) (2020)
Space group: I 1 2/a 1
Cell volume: 5638.9
Cell parameters: 26.4214; 4.76309; 46.6213; 90; 106.034; 90;

COD ID: 2022237

Formula: - C5 H12 N10 O -
Comments: Yan, 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 76(9) (2020)
Space group: P -1
Cell volume: 479.72
Cell parameters: 5.4364; 5.6202; 15.844; 83.623; 87.617; 86.146;

COD ID: 2022238

Formula: - C14 H12 F3 N3 O5 S -
Comments: Eckhardt, 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 76(9) (2020)
Space group: I b a 2
Cell volume: 3132.2
Cell parameters: 17.6719; 25.7296; 6.8887; 90; 90; 90;

COD ID: 2022239

Formula: - C17 H16 F3 N3 O7 S -
Comments: Eckhardt, 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 76(9) (2020)
Space group: P 1 21 1
Cell volume: 1913.25
Cell parameters: 8.8165; 16.1649; 13.4246; 90; 90.0022; 90;

COD ID: 2022240

Formula: - C84 H138 N4 O18 Zn5 -
Comments: Abu 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 76(9) (2020)
Space group: P 1 21/n 1
Cell volume: 4770.2
Cell parameters: 14.5681; 19.477; 17.8029; 90; 109.21; 90;

COD ID: 2022241

Formula: - C106 H182 N6 O24 Zn6 -
Comments: Abu 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 76(9) (2020)
Space group: P 1 21/n 1
Cell volume: 6097.9
Cell parameters: 15.3595; 24.8498; 16.6739; 90; 106.631; 90;

COD ID: 2022242

Formula: - C54 H52 B Co N7 S2 -
Comments: Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J. Conformational polymorphism in a cobalt(II) dithiocarbamate complex Acta Crystallographica Section C 76(9) (2020)
Space group: P b c a
Cell volume: 9501.18
Cell parameters: 26.26089; 12.39989; 29.17764; 90; 90; 90;

COD ID: 2022243

Formula: - C54 H52 B Co N7 S2 -
Comments: Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J. Conformational polymorphism in a cobalt(II) dithiocarbamate complex Acta Crystallographica Section C 76(9) (2020)
Space group: P -1
Cell volume: 2362.76
Cell parameters: 11.69503; 15.27162; 15.43643; 117.441; 100.791; 94.2199;

COD ID: 2022244

Formula: - C15 H20 O4 -
Comments: Arancibia, Luz; Naspi, Mariana; Pucci, Graciela; Rodriguez, Maricel; Di Salvo, Florencia Revisiting the absolute chirality and polymorphism of (‒)-Istanbulin A Acta Crystallographica Section C 76(9) (2020)
Space group: P 21 21 21
Cell volume: 1421.35
Cell parameters: 7.366; 12.8932; 14.9661; 90; 90; 90;

COD ID: 2022245

Formula: - C10 H8 N2 O2 -
Comments: Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A. Synthesis and structures of three isoxazole-containing Schiff bases Acta Crystallographica Section C 76(9) (2020) 927-931
Space group: P 21 21 21
Cell volume: 883.79
Cell parameters: 4.5999; 10.2684; 18.711; 90; 90; 90;

COD ID: 2022246

Formula: - C11 H10 N2 O2 -
Comments: Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A. Synthesis and structures of three isoxazole-containing Schiff bases Acta Crystallographica Section C 76(9) (2020) 927-931
Space group: P n a 21
Cell volume: 958.73
Cell parameters: 20.5584; 10.0468; 4.6417; 90; 90; 90;

COD ID: 2022247

Formula: - C18 H24 N2 O2 -
Comments: Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A. Synthesis and structures of three isoxazole-containing Schiff bases Acta Crystallographica Section C 76(9) (2020) 927-931
Space group: P -1
Cell volume: 1696.56
Cell parameters: 10.8955; 10.9571; 14.8329; 82.335; 88.326; 75.178;

COD ID: 2022248

Formula: - Bi In0.14 Li2.56 -
Comments: Ovchinnikov, Alexander; Bobev, Svilen Electronic stabilization by occupational disorder in the ternary bismuthide Li~3 -~ ~x~~-~~y~In~x~Bi (x ≃0.14, y ≃0.29) Acta Crystallographica, Section C 76(6) (2020) 585-590
Space group: F d -3 m :2
Cell volume: 2372.3
Cell parameters: 13.337; 13.337; 13.337; 90; 90; 90;

COD ID: 2022249

Formula: - C26 H21 Ag N2 O5 -
Comments: Chen, 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 76(10) (2020) 952-957
Space group: P -1
Cell volume: 1132.01
Cell parameters: 7.9269; 11.3939; 13.6589; 78.61; 81.339; 70.031;

COD ID: 2022250

Formula: - C18 H20 O5 -
Comments: Grześkiewicz, 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 76(10) (2020) 958-964
Space group: P 1 21/c 1
Cell volume: 1594.58
Cell parameters: 9.9167; 6.9587; 23.2803; 90; 96.988; 90;

COD ID: 2022251

Formula: - C18 H20 O5 -
Comments: Grześkiewicz, 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 76(10) (2020) 958-964
Space group: P c a 21
Cell volume: 3298.87
Cell parameters: 25.9293; 8.8657; 14.3503; 90; 90; 90;

COD ID: 2022252

Formula: - C5 H10 N10 O6 -
Comments: Li, 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 76(10) (2020) 965-971
Space group: P b c n
Cell volume: 1189.4
Cell parameters: 7.7416; 8.9487; 17.168; 90; 90; 90;

COD ID: 2022253

Formula: - C12 H16 N2 Na2 O10 S2 -
Comments: Gardner, 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 76(10) (2020) 972-981
Space group: C 1 2/c 1
Cell volume: 1797.68
Cell parameters: 21.2141; 5.537; 15.3045; 90; 90.31; 90;

COD ID: 2022254

Formula: - C12 H16 Ca N2 O10 S2 -
Comments: Gardner, 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 76(10) (2020) 972-981
Space group: P -1
Cell volume: 444.21
Cell parameters: 6.3875; 6.747; 11.303; 94.289; 103.16; 108.456;

COD ID: 2022255

Formula: - C12 H18 N3 Na O10 S2 -
Comments: Gardner, 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 76(10) (2020) 972-981
Space group: P 1 21/c 1
Cell volume: 1874.2
Cell parameters: 13.9454; 19.517; 6.9014; 90; 93.838; 90;

COD ID: 2022256

Formula: - C24 H48 Mg N6 O26 S4 -
Comments: Gardner, 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 76(10) (2020) 972-981
Space group: C 1 2/c 1
Cell volume: 4179
Cell parameters: 36.896; 6.7806; 17.914; 90; 111.178; 90;

COD ID: 2022257

Formula: - C14 H25 Ba N3 O13 S2 -
Comments: Gardner, 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 76(10) (2020) 972-981
Space group: P b c a
Cell volume: 4667
Cell parameters: 7.1293; 18.8368; 34.752; 90; 90; 90;

COD ID: 2022258

Formula: - C8 H10 N8 S2 -
Comments: Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej When solvent becomes reactant: a study of 6-aminothiocytosine derivatives Acta Crystallographica Section C 76(10) (2020) 992-999
Space group: C 1 c 1
Cell volume: 1186.9
Cell parameters: 12.3766; 10.7745; 9.205; 90; 104.777; 90;

COD ID: 2022259

Formula: - C9 H12 N8 S2 -
Comments: Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej When solvent becomes reactant: a study of 6-aminothiocytosine derivatives Acta Crystallographica Section C 76(10) (2020) 992-999
Space group: F d d 2
Cell volume: 2428.47
Cell parameters: 36.9868; 15.5842; 4.2131; 90; 90; 90;

COD ID: 2022260

Formula: - C6 H10 N4 O S -
Comments: Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej When solvent becomes reactant: a study of 6-aminothiocytosine derivatives Acta Crystallographica Section C 76(10) (2020) 992-999
Space group: P 1 21/c 1
Cell volume: 901.71
Cell parameters: 8.6783; 9.1691; 11.4391; 90; 97.846; 90;

COD ID: 2022261

Formula: - C4 H5 K N4 O2 S -
Comments: Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej When solvent becomes reactant: a study of 6-aminothiocytosine derivatives Acta Crystallographica Section C 76(10) (2020) 992-999
Space group: P -1
Cell volume: 376.56
Cell parameters: 6.9631; 8.035; 8.0886; 103.021; 111.568; 106.007;

COD ID: 2022262

Formula: - C13 H10.5 Cl2 N3.5 O2 Pt -
Comments: Khalaj, Mehdi; Olyaei, Abolfazl; Sadeghpour, Mahdieh; Lalegani, Arash; Lipkowski, Janusz; Lough, Alan J. Platinum(II) complex with 4-nitro-N-(pyridin-2-ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity Acta Crystallographica Section C 76(11) (2020)
Space group: C 2 2 21
Cell volume: 2975.89
Cell parameters: 7.4469; 27.9271; 14.3092; 90; 90; 90;

COD ID: 2022263

Formula: - C25 H36 Cd N4 O8 -
Comments: Zhao, 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(1H-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^ Acta Crystallographica Section C 76(11) (2020)
Space group: P 1 21/c 1
Cell volume: 2769.3
Cell parameters: 9.0047; 16.5608; 19.4709; 90; 107.493; 90;

COD ID: 2022264

Formula: - C19 H27 Cd N2 O5 -
Comments: Zhao, 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(1H-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^ Acta Crystallographica Section C 76(11) (2020)
Space group: P -1
Cell volume: 1015.6
Cell parameters: 8.2423; 10.6568; 12.4175; 105.466; 92.7; 103.416;

COD ID: 2022265

Formula: - C32 H31 Br N2 O2 -
Comments: Okezue, 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 76(11) (2020)
Space group: P 21 21 21
Cell volume: 5489.5
Cell parameters: 11.1584; 13.6425; 36.061; 90; 90; 90;

COD ID: 2022266

Formula: - C36 H35 Br N2 O6 -
Comments: Okezue, 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 76(11) (2020)
Space group: P 1 21 1
Cell volume: 3234.2
Cell parameters: 16.4556; 10.3205; 20.1636; 90; 109.183; 90;

COD ID: 2022267

Formula: - C17 H14 Br N O -
Comments: Okezue, 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 76(11) (2020)
Space group: P 21 21 21
Cell volume: 1410.1
Cell parameters: 4.3606; 10.82; 29.886; 90; 90; 90;

COD ID: 2022268

Formula: - C39 H39.34 Br N2 O5.17 -
Comments: Okezue, 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 76(11) (2020)
Space group: P 1 21 1
Cell volume: 1729.63
Cell parameters: 12.6384; 7.9259; 17.5249; 90; 99.845; 90;

COD ID: 2022269

Formula: - C40.48 H41.23 Br N2.74 O5 -
Comments: Okezue, 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 76(11) (2020)
Space group: P 1 21 1
Cell volume: 1773.12
Cell parameters: 12.8661; 8.0386; 17.4704; 90; 101.093; 90;

COD ID: 2022270

Formula: - C19 H17 Cl2 N O2 -
Comments: Alsafi, 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 76(12) (2020)
Space group: P 1 21 1
Cell volume: 822.63
Cell parameters: 3.96521; 16.7005; 12.4252; 90; 91.185; 90;

COD ID: 2022271

Formula: - C28 H32 Ca3 N4 O29 -
Comments: Lumpe, Henning; Mayer, Peter; Daumann, Lena J. Crystal structure of a calcium(II)‒pyrroloquinoline quinone (PQQ) complex outside a protein environment Acta Crystallographica Section C 76(12) (2020)
Space group: P -1
Cell volume: 1858.93
Cell parameters: 6.9363; 15.9791; 16.9786; 90.844; 93.106; 98.296;

COD ID: 2022272

Formula: - C8 H20 Cl3 Mo O3 -
Comments: Shaw, 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 76(10) (2020) 947-951
Space group: P 21 21 21
Cell volume: 1432.5
Cell parameters: 8.6186; 12.25; 13.5681; 90; 90; 90;

COD ID: 2022273

Formula: - C20 H30 N4 O8 -
Comments: Gessmann, 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 76(12) (2020)
Space group: P 1 21/c 1
Cell volume: 2292.9
Cell parameters: 11.071; 18.892; 13.115; 90; 123.29; 90;

COD ID: 2022274

Formula: - C48 H42 Mo6 N4 O32 -
Comments: Chen, Wen-Tong Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin Acta Crystallographica Section C 76(12) (2020)
Space group: P n n m
Cell volume: 5701.4
Cell parameters: 19.3159; 15.0183; 19.6537; 90; 90; 90;

COD ID: 2022275

Formula: - C22 H16 N3 O4.5 Zn -
Comments: Zuo, 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 76(12) (2020)
Space group: P 1 21/n 1
Cell volume: 1891.9
Cell parameters: 11.0556; 9.5218; 18.2923; 90; 100.732; 90;

COD ID: 2022276

Formula: - C30 H22 Cu N2 O6 -
Comments: Zuo, 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 76(12) (2020)
Space group: P -1
Cell volume: 1249.97
Cell parameters: 11.0642; 11.1234; 11.6697; 61.912; 86.182; 80.602;

COD ID: 2022277

Formula: - C66 H56 O10 -
Comments: Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of cis-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C 76(12) (2020)
Space group: P -1
Cell volume: 2682.3
Cell parameters: 13.574; 13.829; 14.657; 79.013; 87.544; 83.381;

COD ID: 2022278

Formula: - C30 H32 O10 -
Comments: Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of cis-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C 76(12) (2020)
Space group: P 1 21/n 1
Cell volume: 2834
Cell parameters: 12.147; 20.697; 12.702; 90; 117.432; 90;

COD ID: 2022279

Formula: - C24 H14 F6 O4 -
Comments: Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of cis-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C 76(12) (2020)
Space group: C 1 2/c 1
Cell volume: 4149
Cell parameters: 30.399; 9.176; 14.994; 90; 97.204; 90;

COD ID: 2022280

Formula: - C38 H32 O6 -
Comments: Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of cis-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C 76(12) (2020)
Space group: P -1
Cell volume: 3064
Cell parameters: 10.239; 13.056; 23.923; 86.992; 89.198; 73.621;

COD ID: 2022281

Formula: - C26 H24 O6 -
Comments: Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of cis-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C 76(12) (2020)
Space group: P 1 21/n 1
Cell volume: 2151.4
Cell parameters: 9.033; 6.427; 37.08; 90; 91.948; 90;

COD ID: 2022282

Formula: - C24 H14 F6 O4 -
Comments: Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of cis-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C 76(12) (2020)
Space group: I 1 2/a 1
Cell volume: 4182
Cell parameters: 23.308; 7.132; 27.253; 90; 112.62; 90;

COD ID: 2022283

Formula: - C27 H24 N2 O9 -
Comments: Ye, 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 76(12) (2020) 1100-1107
Space group: P 1 21 1
Cell volume: 1172.33
Cell parameters: 13.5302; 4.6101; 19.3371; 90; 103.603; 90;

COD ID: 2022284

Formula: - C27 H23 Cl N2 O9 -
Comments: Ye, 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 76(12) (2020) 1100-1107
Space group: C 1 2 1
Cell volume: 2316.11
Cell parameters: 40.6637; 4.52749; 12.7049; 90; 98.027; 90;

COD ID: 2022285

Formula: - C8 H18 F2 I4 N2 Pb -
Comments: Huang, 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 76(12) (2020) 1096-1099
Space group: P 1 21/c 1
Cell volume: 993.81
Cell parameters: 13.6842; 8.5302; 8.9518; 90; 107.996; 90;

COD ID: 2022295

Formula: - C13 H10 Br N O -
Comments: Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A. (E)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism Acta Crystallographica Section C 76(11) (2020) 1001-1004
Space group: P c a 21
Cell volume: 1082.52
Cell parameters: 12.2768; 4.4829; 19.6694; 90; 90; 90;

COD ID: 2022296

Formula: - C13 H10 Br N O -
Comments: Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A. (E)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism Acta Crystallographica Section C 76(11) (2020) 1001-1004
Space group: C 1 c 1
Cell volume: 1105.48
Cell parameters: 25.8944; 6.9439; 6.1499; 90; 91.381; 90;

COD ID: 2022359

Formula: - C12 H17 N5 O S -
Comments: Szczesio, 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 76(7) (2020) 673-680
Space group: P 1 21/c 1
Cell volume: 1337.38
Cell parameters: 14.0601; 10.9903; 8.7228; 90; 97.16; 90;

COD ID: 2022360

Formula: - C12 H18 Cl N5 O2 S -
Comments: Szczesio, 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 76(7) (2020) 673-680
Space group: P 1 21/c 1
Cell volume: 1541.99
Cell parameters: 6.8829; 11.8924; 19.0594; 90; 98.737; 90;

COD ID: 2022361

Formula: - C17 H19 Cl N6 S -
Comments: Szczesio, 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 76(7) (2020) 673-680
Space group: P 1 21/n 1
Cell volume: 1972.05
Cell parameters: 11.2996; 9.387; 18.9935; 90; 101.8; 90;

COD ID: 2022362