Crystallography Open Database

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2021845 CIF
HKL
Paper
C128 H228 Cr2 O26 P6P 1 21 116.0576; 24.7423; 18.2142
90; 105.443; 90
6975.3Tavtorkin, 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, 2020, 76, 93-103
2021846 CIF
HKL
Paper
C84 H136 Cl Cr2 O18 P3P 21 21 2115.4994; 23.1995; 25.5787
90; 90; 90
9197.5Tavtorkin, 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, 2020, 76, 93-103
2021847 CIF
HKL
Paper
C116 H172 Cl2 Cr2 O20 P4P -112.8003; 14.3922; 19.0048
76.5044; 74.5363; 66.3984
3060.2Tavtorkin, 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, 2020, 76, 93-103
2021848 CIF
HKL
Paper
C23 H18 OP b c a10.6325; 14.7734; 21.7751
90; 90; 90
3420.39Pineda, 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, 2020, 76, 87-92
2021849 CIF
HKL
Paper
C22 H15 N O2P 1 21/c 19.6548; 22.2107; 7.9248
90; 105.749; 90
1635.6Pineda, 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, 2020, 76, 87-92
2021850 CIF
HKL
Paper
C23 H18P 1 21/n 114.3054; 5.8354; 19.0365
90; 90.935; 90
1588.91Pineda, 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, 2020, 76, 87-92
2021851 CIF
HKL
Paper
C19 H24 N O3 PP n a 219.3538; 9.7899; 19.3432
90; 90; 90
1771.31Vahdani 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)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]
Acta Crystallographica Section C, 2020, 76, 104-116
2021852 CIF
HKL
Paper
C26 H24 N O3 PP -18.3404; 9.5349; 14.9677
76.28; 75.778; 72.055
1080.73Vahdani 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)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]
Acta Crystallographica Section C, 2020, 76, 104-116
2021925 CIF
HKL
Paper
C32 H24 N6P 1 21/c 113.023; 7.34; 27.762
90; 97.693; 90
2629.9Tan, 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, 2020, 76, 44-63
2021926 CIF
HKL
Paper
C34 H28 N6P -110.2585; 11.961; 12.8232
64.941; 79.573; 76.829
1381.45Tan, 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, 2020, 76, 44-63
2021927 CIF
HKL
Paper
C70 H59 N13P -111.271; 11.6944; 12.5164
79.875; 87.701; 64.941
1470.1Tan, 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, 2020, 76, 44-63
2021928 CIF
HKL
Paper
C36 H26 N4C 1 2/c 126.195; 9.809; 11.806
90; 115.23; 90
2744.1Tan, 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, 2020, 76, 44-63
2021929 CIF
HKL
Paper
C23 H17 N3 OP 21 21 216.8767; 8.3698; 32.6317
90; 90; 90
1878.17Tan, 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, 2020, 76, 44-63
2021930 CIF
HKL
Paper
C24 H19 N3 OP 43 21 28.358; 8.358; 54.6705
90; 90; 90
3819.07Tan, 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, 2020, 76, 44-63
2021931 CIF
HKL
Paper
C24 H19 N3 OP 1 21/c 118.6779; 8.6694; 12.7956
90; 106.91; 90
1982.36Tan, 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, 2020, 76, 44-63
2021932 CIF
HKL
Paper
C25 H18 N2 OP 1 21/c 117.2081; 9.4075; 11.9703
90; 94.814; 90
1931Tan, 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, 2020, 76, 44-63
2021933 CIF
HKL
Paper
C14 H11 N O3P 1 21/c 19.419; 8.322; 14.342
90; 93.612; 90
1122Tan, 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, 2020, 76, 75-86
2021934 CIF
HKL
Paper
C14 H10 N2 O5P 1 21 15.285; 18.418; 6.699
90; 100.105; 90
642Tan, 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, 2020, 76, 75-86
2021935 CIF
HKL
Paper
C14 H12 N2 O5P 1 21 15.3661; 18.6171; 6.6116
90; 98.918; 90
652.52Tan, 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, 2020, 76, 75-86
2021936 CIF
HKL
Paper
C10 H13 N O4P m n 2110.035; 5.5937; 8.9634
90; 90; 90
503.14Tan, 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, 2020, 76, 75-86
2021937 CIF
Paper
C96 H86 N20 O17 Zn3P 1 c 116.908; 8.432; 34.872
90; 102.782; 90
4848.4Wang, 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, 2020, 76, 10-16
2021938 CIF
HKL
Paper
C5 H8 N8F d d 218.632; 19.933; 4.3095
90; 90; 90
1600.5Li, 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, 2020, 76, 64-68
2021939 CIF
HKL
Paper
C28 H18 Cu N4 O5 S2C 1 2/c 121.086; 8.0671; 15.9578
90; 103.623; 90
2638.1Shi, 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, 2020, 76, 37-43
2021940 CIF
HKL
Paper
C42 H28 Cu2 N4 O11 S2P -111.14; 12.522; 14.911
74.487; 87.709; 79.511
1970.7Shi, 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, 2020, 76, 37-43
2021941 CIF
HKL
Paper
C50 H38 Co N12 O10P -17.4985; 11.3099; 14.7152
101.142; 95.336; 99.286
1198.41Wang, 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, 2020, 76, 23-29
2021942 CIF
HKL
Paper
C17 H16 N2 O4 SP 328.3729; 8.3729; 20.0206
90; 90; 120
1215.51Shishkina, 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 <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam
Acta Crystallographica Section C, 2020, 76, 69-74
2021943 CIF
HKL
Paper
C17 H16 N2 O4 SP 318.3735; 8.3735; 20.0299
90; 90; 120
1216.25Shishkina, 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 <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam
Acta Crystallographica Section C, 2020, 76, 69-74
2021944 CIF
HKL
Paper
C49 H61 N5 O9P 1 21 110.645; 19.161; 11.503
90; 93.75; 90
2341.2Linden, 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, 2019, 76, 1
2021945 CIF
HKL
Paper
C28 H37 N3 O6P 1 21 110.388; 12.756; 21.624
90; 93.55; 90
2859.9Linden, 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, 2019, 76, 1
2021946 CIF
HKL
Paper
C32 H41 N3 O6P 1 21/n 19.937; 18.319; 16.436
90; 90.19; 90
2992Linden, 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, 2019, 76, 1
2021947 CIF
HKL
Paper
C30 H37 N3 O6P n a 2118.922; 18.3; 8.072
90; 90; 90
2795Linden, 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, 2019, 76, 1
2021948 CIF
HKL
Paper
C15 H23 N O2P 21 21 2115.3994; 11.5152; 7.8087
90; 90; 90
1384.69Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.
Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives
Acta Crystallographica Section C, 2020, 76, 30-36
2021949 CIF
HKL
Paper
C15 H23 N O2P b c a8.517; 10.019; 32.323
90; 90; 90
2758.18Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.
Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives
Acta Crystallographica Section C, 2020, 76, 30-36
2021950 CIF
HKL
Paper
C15 H25 N O4P 1 21/c 119.3892; 6.1746; 12.6588
90; 100.87; 90
1488.33Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.
Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives
Acta Crystallographica Section C, 2020, 76, 30-36
2021951 CIF
HKL
Paper
C24 H26 Cl Mn N8 O6P 1 21 18.2608; 14.0676; 11.5967
90; 97.9839; 90
1334.6Olmstead, Marilyn M.
Bond length of perchlorate at different temperatures: X-ray and neutron comparison
Acta Crystallographica Section C, 2020, 76
2021952 CIF
HKL
Paper
C24 H26 Cl Mn N8 O6P 1 21 18.2788; 14.0816; 11.6343
90; 98.0814; 90
1342.84Olmstead, Marilyn M.
Bond length of perchlorate at different temperatures: X-ray and neutron comparison
Acta Crystallographica Section C, 2020, 76
2021953 CIF
HKL
Paper
C24 H26 Cl Mn N8 O6P 1 21 18.3188; 14.1117; 11.6994
90; 98.3222; 90
1358.96Olmstead, Marilyn M.
Bond length of perchlorate at different temperatures: X-ray and neutron comparison
Acta Crystallographica Section C, 2020, 76
2021954 CIF
HKL
Paper
C12 H10 Co N6 O6P 1 21/c 17.134; 9.882; 10.3
90; 100.484; 90
714Cai, 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, 2020, 76
2021955 CIF
HKL
Paper
C12 H14 N6 Ni O8P -17.3533; 7.9541; 8.1396
65.416; 88.89; 69.788
401.92Cai, 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, 2020, 76
2021956 CIF
HKL
Paper
C5 H9 Au Cl5 N5 OP n a 2115.7712; 13.0392; 13.0556
90; 90; 90
2684.8Savchenkov, 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, 2020, 76
2021957 CIF
HKL
Paper
C5 H7 Au Cl4 N5 O1.5P -18.1408; 11.9063; 12.4678
84.918; 84.475; 85.649
1195.35Savchenkov, 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, 2020, 76
2021958 CIF
HKL
Paper
C24 H24 N4 O6 ZnP 1 21 18.288; 14.3767; 10.2288
90; 104.514; 90
1179.91Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng
Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers
Acta Crystallographica Section C, 2020, 76
2021959 CIF
HKL
Paper
C24 H24 N4 O6 ZnP 1 21 18.2888; 14.3618; 10.2195
90; 104.509; 90
1177.75Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng
Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers
Acta Crystallographica Section C, 2020, 76
2021960 CIF
HKL
Paper
C24 H22 N4 O5 ZnP 1 21 19.0631; 11.8412; 11.6382
90; 112.456; 90
1154.28Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng
Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers
Acta Crystallographica Section C, 2020, 76
2021961 CIF
HKL
Paper
C24 H22 N4 O5 ZnP 1 21 19.0571; 11.8439; 11.6393
90; 112.441; 90
1154.01Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng
Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers
Acta Crystallographica Section C, 2020, 76
2021962 CIF
HKL
Paper
C42 H54 N8 Ni2 O11C 1 2/c 112.188; 15.6516; 22.7466
90; 95.989; 90
4315.5Zhao, 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-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties
Acta Crystallographica Section C, 2020, 76
2021963 CIF
HKL
Paper
C21 H32 N4 O8 ZnP 1 21/c 19.6488; 17.7245; 14.9109
90; 96.47; 90
2533.8Zhao, 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-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties
Acta Crystallographica Section C, 2020, 76
2021964 CIF
HKL
Paper
C59.5 H76.5 Mo10 N8.5 O60.029 P4P -114.8316; 15.2679; 23.237
89.1396; 78.1097; 75.4959
4981.24Skorepova, 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, 2020, 76
2021965 CIF
HKL
Paper
C52 H43 Cl2 Cu F6 N3 P3P 1 21/c 120.089; 11.1502; 21.972
90; 97.945; 90
4874.4Wang, 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, 2020, 76
2021966 CIF
HKL
Paper
C20 H16 Eu2 N4 O16P -17.49; 9.42; 9.6533
117.97; 93.19; 99.12
587.3Zheng, Wenxu; Wu, Kechen
Anion-directed assemblies of europium(III) coordination polymers based on 1<i>H</i>-benzimidazole-5,6-dicarboxylate: structures and luminescence properties
Acta Crystallographica Section C, 2020, 76
2021967 CIF
HKL
Paper
C9 H5 Eu N2 O8 SP -16.961; 7.9482; 10.9901
101.579; 106.761; 95.588
562.51Zheng, Wenxu; Wu, Kechen
Anion-directed assemblies of europium(III) coordination polymers based on 1<i>H</i>-benzimidazole-5,6-dicarboxylate: structures and luminescence properties
Acta Crystallographica Section C, 2020, 76
2021968 CIF
HKL
Paper
C7 H9 N O2P b c a7.185; 12.917; 13.697
90; 90; 90
1271.2Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar
Two novel polymorphic forms of iron-chelating agent deferiprone
Acta Crystallographica Section C, 2020, 76, 193-200
2021969 CIF
HKL
Paper
C7 H9 N O2P 1 21/c 16.4847; 13.6853; 7.1462
90; 95.6583; 90
631.1Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar
Two novel polymorphic forms of iron-chelating agent deferiprone
Acta Crystallographica Section C, 2020, 76, 193-200
2021970 CIF
HKL
Paper
C7 H9 N O2P 1 21/c 119.4132; 13.7057; 7.1809
90; 91.775; 90
1909.7Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar
Two novel polymorphic forms of iron-chelating agent deferiprone
Acta Crystallographica Section C, 2020, 76, 193-200
2021972 CIF
HKL
Paper
C8 H20 N Re S4P 63 m c8.15; 8.15; 13.092
90; 90; 120
753.1Bernhardt, Eduard; Herbst-Irmer, Regine
Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]
Acta Crystallographica Section C, 2020, 76
2021973 CIF
HKL
Paper
C8 H20 N Re S4P 6324.17; 24.17; 12.916
90; 90; 120
6534.5Bernhardt, Eduard; Herbst-Irmer, Regine
Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]
Acta Crystallographica Section C, 2020, 76
2021974 CIF
HKL
Paper
C8 H20 N Re S4P 1 21 17.9; 12.842; 8.118
90; 119.04; 90
720Bernhardt, Eduard; Herbst-Irmer, Regine
Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]
Acta Crystallographica Section C, 2020, 76
2021975 CIF
HKL
Paper
C21.46 H19.85 N2 O2.46 S2P -114.7387; 16.6445; 17.897
84.662; 73.498; 68.886
3926.8Mambourg, 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, 2020, 76
2021976 CIF
HKL
Paper
C16 H14 O3P 1 21/c 18.5168; 6.6031; 23.3468
90; 90.737; 90
1312.85Małecka, 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, 2020, 76
2021977 CIF
HKL
Paper
C16 H14 O3P b c n12.7692; 8.5258; 23.182
90; 90; 90
2523.77Małecka, 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, 2020, 76
2021978 CIF
HKL
Paper
C17 H16 O3P 1 21/n 116.7561; 8.0448; 21.3319
90; 110.138; 90
2699.74Małecka, 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, 2020, 76
2021979 CIF
HKL
Paper
C15 H11 Cl O2P 1 21/c 16.476; 16.2902; 11.6755
90; 97.953; 90
1219.86Małecka, 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, 2020, 76
2021980 CIF
HKL
Paper
C16 H13 Br O2P 1 21/n 115.2121; 8.7614; 20.726
90; 92.458; 90
2759.81Małecka, 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, 2020, 76
2021981 CIF
HKL
Paper
C16 H14 O3P c a 2125.297; 4.0469; 12.639
90; 90; 90
1293.9Małecka, 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, 2020, 76
2021982 CIF
HKL
Paper
C15 H12 O3P 1 21 13.9413; 17.3664; 17.236
90; 94.504; 90
1176.1Małecka, 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, 2020, 76
2021983 CIF
HKL
Paper
C4 H6 N4 SP 1 21/c 19.7038; 10.5386; 15.3898
90; 129.196; 90
1219.7Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej
Solvent influence on the crystal packing of 6-aminothiocytosine
Acta Crystallographica Section C, 2020, 76
2021984 CIF
HKL
Paper
C7 H13 N5 O SP 1 21/c 19.7682; 13.3671; 16.5201
90; 99.03; 90
2130.3Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej
Solvent influence on the crystal packing of 6-aminothiocytosine
Acta Crystallographica Section C, 2020, 76
2021985 CIF
HKL
Paper
C37.17 H38.34 Cl2 Mn4 N6 O16P -18.5495; 11.055; 12.5947
76.143; 73.11; 81.533
1102.02Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua
Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes
Acta Crystallographica Section C, 2020, 76
2021986 CIF
Paper
C38 H40 Br2 Mn4 N6 O16P 1 21/c 114.6015; 19.1875; 8.2747
90; 98.376; 90
2293.56Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua
Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes
Acta Crystallographica Section C, 2020, 76
2021987 CIF
Paper
C19 H22 Cl Mn2 N3 O9P 1 21/c 18.5288; 31.321; 9.2665
90; 110.631; 90
2316.6Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua
Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes
Acta Crystallographica Section C, 2020, 76
2021988 CIF
HKL
Paper
C2 H24 Mg2 O18P b a m12.3564; 6.5165; 9.9337
90; 90; 90
799.87Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang
A new hydrate of magnesium carbonate, MgCO~3~·6H~2~O
Acta Crystallographica Section C, 2020, 76
2021989 CIF
HKL
Paper
C15 H29 N O12P 21 21 2111.417; 12.6782; 13.2102
90; 90; 90
1912.14Zhang, Wenhui; Meredith, Reagan J.; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.
Glycosidic linkage, <i>N</i>-acetyl side-chain, and other structural properties of methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-mannopyranoside monohydrate and related compounds
Acta Crystallographica Section C, 2020, 76
2021990 CIF
HKL
Paper
H4 K2 Mn3 O16 P4P 1 21/c 19.1944; 8.3134; 9.3798
90; 98.924; 90
708.282Kiriukhina, 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, 2020, 76
2021991 CIF
HKL
Paper
Al2 H4 K Mn O14 P3C 1 2/c 113.3117; 10.0949; 8.7261
90; 108.057; 90
1114.86Kiriukhina, 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, 2020, 76
2021992 CIF
HKL
Paper
C4 H19 Cl3 Co N4 O1.5P -18.7163; 11.1146; 14.0703
105.54; 94.63; 108.581
1224.06Bernal, 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, 2020, 76
2021994 CIF
HKL
Paper
C11 H9 Cl3 N6P -18.1958; 8.4184; 10.5965
97.006; 104.543; 91.138
701.43Patricio-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, 2020, 76
2021995 CIF
HKL
Paper
C38 H45.75 Cl6.04 N18 O7.93P -112.8675; 14.1487; 16.5184
75.57; 78.737; 64.33
2611.81Patricio-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, 2020, 76
2021996 CIF
HKL
Paper
C29 H31 N O5P 21 21 216.4917; 17.5357; 22.2418
90; 90; 90
2531.93Bojarska, Joanna; Remko, Milan; Madura, Izabela D.; Kaczmarek, Krzysztof; Zabrocki, Janusz; Wolf, Wojciech M.
Synthesis, experimental and <i>in silico</i> studies of <i>N</i>-fluorenylmethoxycarbonyl-<i>O</i>-<i>tert</i>-butyl-<i>N</i>-methyltyrosine, coupled with CSD data: a survey of interactions in the crystal structures of Fmoc‒amino acids
Acta Crystallographica Section C, 2020, 76
2021997 CIF
Paper
C10 H13 F N2 O5P 21 21 217.0301; 17.1705; 18.8369
90; 90; 90
2273.81Aher, 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, 2020, 76
2021998 CIF
HKL
Paper
C18 H16 N2 O SeP 1 21/c 114.808; 15.697; 14.977
90; 114.482; 90
3168.28Żesławska, 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(1<i>H</i>)-selenone derivatives
Acta Crystallographica Section C, 2020, 76, 359-366
2021999 CIF
HKL
Paper
C18 H16 N2 O SeP 1 21/c 19.467; 10.307; 16.615
90; 106.887; 90
1551.32Żesławska, 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(1<i>H</i>)-selenone derivatives
Acta Crystallographica Section C, 2020, 76, 359-366
2022000 CIF
Paper
C18 H16 N2 O SeP 1 21/c 112.733; 8.95; 14.1399
90; 101.862; 90
1576.98Żesławska, 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(1<i>H</i>)-selenone derivatives
Acta Crystallographica Section C, 2020, 76, 359-366
2022001 CIF
HKL
Paper
C54 H40 N4 O6 ZnC 1 2/c 117.4164; 26.2567; 20.0775
90; 114.401; 90
8361.3Xue, 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, 2020, 76, 353-358
2022003 CIF
HKL
Paper
C8 H13 N3 O4 SP 1 21/n 111.8658; 5.4786; 16.7291
90; 97.296; 90
1078.72Zheng, 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, 2020, 76
2022004 CIF
HKL
Paper
C16 H21 N3 O8 SP -111.1206; 12.6519; 13.6042
98.078; 97.793; 99.78
1842.42Zheng, 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, 2020, 76
2022005 CIF
HKL
Paper
C21 H13 F2 N3 OP 1 21/c 111.8772; 17.2089; 8.4838
90; 109.022; 90
1639.35Park, 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, 2020, 76
2022006 CIF
HKL
Paper
C23 H19 N3 O3C 1 2/c 121.0396; 7.941; 22.5109
90; 100.899; 90
3693.18Park, 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, 2020, 76
2022083 CIF
HKL
Paper
C6 H10 Cu2 N4 OP 438.8994; 8.8994; 11.375
90; 90; 90
900.89Koenigsmann, Christopher; Rachid, Leena N.; Sheedy, Christina M.; Corfield, Peter W. R.
Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated <i>N</i>-methylethanolamine as the guest cation
Acta Crystallographica Section C, 2020, 76
2022084 CIF
HKL
Paper
C23 H20 Co N4 O5I b c a17.1976; 16.7629; 16.3162
90; 90; 90
4703.7Xu, 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, 2020, 76
2022085 CIF
HKL
Paper
C54 H42 Co2 N12 O10P 1 21/c 18.0331; 17.6045; 17.6523
90; 98.077; 90
2471.6Xu, 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, 2020, 76
2022086 CIF
HKL
Paper
C42 H40 Fe N10 O6 S2P -19.0061; 10.3811; 11.683
82.848; 84.322; 67.522
999.87Hao, 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, 2020, 76
2022087 CIF
HKL
Paper
C42 H44 Fe N10 O8 S2P 1 21/n 18.3685; 17.9701; 14.8291
90; 103.411; 90
2169.2Hao, 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, 2020, 76
2022088 CIF
HKL
Paper
C70 H114 N12 Ni3 O20 Si2P 1 21/c 113.54; 14.0473; 22.0478
90; 102.895; 90
4087.7Gavrish, 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, 2020, 76
2022089 CIF
HKL
Paper
H14 Na2 O10 SP 1 21/c 1 (c,2*a+c,b)14.6563; 19.718; 7.2197
90; 90; 94.0997
2081.1Weil, Matthias; Mereiter, Kurt
Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate
Acta Crystallographica Section C, 2020, 76
2022090 CIFH14 Na2 O10 SP 1 21/n 111.8576; 7.2197; 12.6965
90; 106.794; 90
1040.57Weil, Matthias; Mereiter, Kurt
Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate
Acta Crystallographica Section C, 2020, 76
2022091 CIF
HKL
Paper
C16 H6 F4 I2 N4C 1 2/c 127.2812; 6.21; 20.9742
90; 106.931; 90
3399.4Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric
Ditopic halogen bonding with bipyrimidines and activated pyrimidines
Acta Crystallographica Section C, 2020, 76
2022092 CIF
HKL
Paper
C14 H6 F4 I2 N4P 1 21/c 110.4617; 6.4681; 23.966
90; 100.069; 90
1596.7Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric
Ditopic halogen bonding with bipyrimidines and activated pyrimidines
Acta Crystallographica Section C, 2020, 76
2022093 CIF
HKL
Paper
C20 H13 F4 I2 N3P 1 21/m 16.9939; 13.64; 11.2299
90; 94.26; 90
1068.34Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric
Ditopic halogen bonding with bipyrimidines and activated pyrimidines
Acta Crystallographica Section C, 2020, 76
2022094 CIF
HKL
Paper
C20 H13 F4 I2 N3P -19.174; 14.0178; 17.5605
100.065; 95.285; 107.225
2098.8Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric
Ditopic halogen bonding with bipyrimidines and activated pyrimidines
Acta Crystallographica Section C, 2020, 76
2022095 CIF
HKL
Paper
C20 H13 F4 I2 N3P -19.3688; 11.4346; 12.0797
62.075; 82.31; 68.234
1060.63Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric
Ditopic halogen bonding with bipyrimidines and activated pyrimidines
Acta Crystallographica Section C, 2020, 76

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