Crystallography Open Database

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2022153 CIF
HKL
Paper
C23 H16 F N O2P 1 21/c 17.6021; 20.488; 10.9319
90; 96.986; 90
1690Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-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, 2020, 76, 433-445
2022154 CIF
HKL
Paper
C24 H19 N O3P 1 21/n 14.9743; 29.1957; 12.4406
90; 100.914; 90
1774.05Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-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, 2020, 76, 433-445
2022155 CIF
HKL
Paper
C22 H16 N2 O2P 1 21/n 17.3457; 18.0675; 13.1813
90; 105.994; 90
1681.7Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-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, 2020, 76, 433-445
2022156 CIF
HKL
Paper
C21 H15 N O2 SP b c a17.5058; 8.8163; 21.2092
90; 90; 90
3273.4Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-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, 2020, 76, 433-445
2022157 CIF
HKL
Paper
C23 H15 Cl2 N O2P -18.201; 9.7629; 12.174
76.755; 87.675; 76.211
921.34Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-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, 2020, 76, 433-445
2022158 CIF
Paper
C22 H18 Cu N4 O2 S2P 32 2 19.794; 9.794; 19.8673
90; 90; 120
1650.4Deng, 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, 2020, 76
2022159 CIF
Paper
C24 H24 Cu2 N4 O4 S2P -17.505; 7.9967; 11.9102
76.112; 71.827; 82.057
657.73Deng, 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, 2020, 76
2022160 CIF
HKL
Paper
C11 H28 Co I2 N5 O3P 1 21 19.4554; 9.901; 10.3668
90; 97.567; 90
962.07Arderne, 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, 2020, 76
2022161 CIF
HKL
C11 H24 Cl2 Co N5 O6P 1 21/n 113.6098; 11.1177; 13.6429
90; 118.651; 90
1811.5Arderne, 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, 2020, 76
2022162 CIF
HKL
C10 H25 Cl2 Co N6 O7P b c a11.5455; 11.8865; 25.3868
90; 90; 90
3484Arderne, 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, 2020, 76
2022165 CIF
HKL
Paper
C40 H24 Cl Mn N8P 1 21/n 19.5189; 14.245; 23.4079
90; 95.92; 90
3157.1Wen-Tong Chen
A one-dimensional manganese(III)‒porphyrin coordination polymer: crystal structure and photophysical properties
Acta Crystallographica, Section C, 2020, 76, 375-380
2022166 CIF
HKL
Paper
C21 H19 N O3P 1 21/c 112.211; 8.1447; 17.6634
90; 109.43; 90
1656.7Hillman, Zachary E.; Tanski, Joseph M.; Roberts, Andrea
Crystal and geometry-optimized structure of an anthracene-based Diels‒Alder adduct
Acta Crystallographica Section C, 2020, 76
2022167 CIF
HKL
Paper
C13 H21 N O2P 1 21/n 17.2657; 14.4917; 24.6836
90; 90.042; 90
2598.99Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
Acta Crystallographica Section C, 2020, 76
2022168 CIF
HKL
Paper
C19 H26 N2 O4P -16.5225; 12.7734; 12.8431
118.954; 91.292; 101.139
910.2Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
Acta Crystallographica Section C, 2020, 76
2022169 CIF
HKL
Paper
C13 H22 Cl N O2P 1 21 17.0226; 7.9585; 12.5188
90; 103.645; 90
679.92Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
Acta Crystallographica Section C, 2020, 76
2022170 CIF
HKL
Paper
C19 H26 N2 O4P 41 21 210.9828; 10.9828; 31.824
90; 90; 90
3838.67Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
Acta Crystallographica Section C, 2020, 76
2022171 CIF
HKL
Paper
C20 H21 F3 N4 O3 SP 1 21/c 111.8973; 8.836; 21.8286
90; 103.454; 90
2231.75Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022172 CIF
HKL
Paper
C21 H23 F3 N4 O3 SP 1 21/c 111.9584; 9.2028; 21.2811
90; 103.383; 90
2278.41Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022173 CIF
HKL
Paper
C22 H23 F3 N4 O3 SP 1 21/c 111.9978; 9.0896; 21.9732
90; 101.358; 90
2349.36Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022174 CIF
HKL
Paper
C22 H26 F3 N5 O3 SP 1 21/c 112.405; 8.9351; 22.5727
90; 98.6702; 90
2473.36Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022175 CIF
HKL
Paper
C23 H26 F3 N5 O3 SP 1 21/c 112.4495; 8.7822; 22.656
90; 97.861; 90
2453.8Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022176 CIF
HKL
Paper
C19 H20 F3 N3 O3 S2P 1 21/c 111.9884; 9.023; 20.8537
90; 100.391; 90
2218.78Bond, Andrew D.; Sun, Changquan C.
Intermolecular interactions and disorder in six isostructural celecoxib solvates
Acta Crystallographica Section C, 2020, 76
2022177 CIF
HKL
Paper
C44 H45 Cl4 Fe5 N42 O7P 1 21/n 111.2862; 29.3083; 19.6024
90; 98.393; 90
6414.6Deng, Qianjun; Wang, Jiming; Li, Guangzhao; Zhang, Shuhua
Synthesis, structure and magnetism of a new ionic pentanuclear iron cluster
Acta Crystallographica Section C, 2020, 76
2022179 CIF
Paper
C34 H36 N4 O6 S2P 1 21/c 14.7581; 18.599; 18.266
90; 92.409; 90
1615Fang, 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, 2020, 76
2022180 CIF
HKL
Paper
C22 H16 O2C 1 2/c 110.2487; 16.3033; 19.7539
90; 100.42; 90
3246.2Małecka, 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, 2020, 76
2022181 CIF
HKL
Paper
C23 H18 O2P 1 21/c 116.6799; 7.9102; 13.1511
90; 98.558; 90
1715.85Małecka, 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, 2020, 76
2022182 CIF
HKL
Paper
C23 H18 O2P -18.9094; 9.6578; 10.9044
104.378; 109.425; 91.902
850.24Małecka, 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, 2020, 76
2022183 CIF
HKL
Paper
C23 H18 O3P 1 21/n 123.4111; 8.0027; 28.1094
90; 97.156; 90
5225.33Małecka, 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, 2020, 76
2022184 CIF
HKL
Paper
C16 H12 O2P -17.7718; 8.6069; 9.0857
89.744; 84.862; 74.199
582.31Małecka, 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, 2020, 76
2022185 CIF
HKL
Paper
C17 H14 O3P -17.557; 12.3558; 14.4044
82.748; 87.126; 75.768
1293.01Małecka, 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, 2020, 76
2022186 CIF
HKL
C18 H16 Cl N2 Na O8 SP 1 21/c 118.5318; 5.9396; 17.4426
90; 95.528; 90
1911Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian
Two monosodium salt hydrates of Colour Index Pigment Red 48
Acta Crystallographica Section C Structural Chemistry, 2020, 76
2022187 CIF
HKL
C18 H14 Cl N2 Na O7 SP 1 21/c 118.2222; 5.9486; 16.9361
90; 92.037; 90
1834.66Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian
Two monosodium salt hydrates of Colour Index Pigment Red 48
Acta Crystallographica Section C Structural Chemistry, 2020, 76
2022188 CIF
HKL
Paper
C H14 Cl2 Mg2 O10C 1 c 113.368; 11.262; 9.266
90; 118.83; 90
1222.1Rincke, Christine; Schmidt, Horst; Buth, Gernot; Voigt, Wolfgang
Crystal structure and characterization of magnesium carbonate chloride heptahydrate
Acta Crystallographica Section C, 2020, 76
2022189 CIF
HKL
Paper
C27 H25 Ce N2 O10P -110.9515; 11.2204; 12.287
103.223; 100.928; 100.379
1403.1Yang, 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, 2020, 76
2022190 CIF
HKL
Paper
C27 H25 N2 O10 PrP -110.9076; 11.1726; 12.3717
102.985; 101.259; 100.483
1400.1Yang, 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, 2020, 76
2022191 CIF
HKL
Paper
C27 H25 N2 Nd O10P -110.8669; 11.1173; 12.4442
102.564; 101.643; 100.661
1395.4Yang, 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, 2020, 76
2022192 CIF
HKL
Paper
C27 H25 N2 O10 SmP -110.7827; 10.9479; 12.7964
100.735; 103.054; 101.521
1398.9Yang, 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, 2020, 76
2022193 CIF
HKL
Paper
C27 H25 Eu N2 O10P -110.7597; 10.9088; 12.9291
100.285; 103.621; 101.711
1402.73Yang, 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, 2020, 76
2022194 CIF
HKL
Paper
C27 H25 Gd N2 O10P -110.722; 10.87; 12.949
100.12; 103.89; 101.79
1393.5Yang, 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, 2020, 76
2022195 CIF
HKL
Paper
C32 H50 N16 O51 Si W12C 1 c 115.8623; 20.7547; 21.8096
90; 107.576; 90
6844.9Panteleieva, 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, 2020, 76
2022196 CIF
HKL
Paper
C24 H36 N12 O47.5 P W12P 1 21/n 110.8071; 23.4412; 23.6644
90; 90.72; 90
5994.5Panteleieva, 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, 2020, 76
2022197 CIF
HKL
Paper
C28 H30 Cl N3 O2 S2P 1 21/c 114.1669; 10.7145; 17.135
90; 98.654; 90
2571.33Romo, 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, 2020, 76
2022198 CIF
HKL
Paper
C30 H26 Cl N3 O2 S2P n a 218.2419; 28.0429; 11.5843
90; 90; 90
2677.44Romo, 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, 2020, 76
2022199 CIF
HKL
Paper
Gd Hf K2 O12 P3P 21 310.3179; 10.3179; 10.3179
90; 90; 90
1098.43Nan, 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, 2020, 76
2022200 CIF
HKL
Paper
C19 H22 N4 O3 SP -19.1209; 9.6732; 11.958
104.763; 100.147; 103.858
958.4Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022201 CIF
HKL
Paper
C19 H22 N4 O4 SP -19.1304; 9.9986; 11.8551
107.458; 99.719; 99.414
990.84Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022202 CIF
HKL
Paper
C19 H22 N4 O3 SP 1 21 15.8289; 18.094; 9.0173
90; 95.799; 90
946.17Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022203 CIF
HKL
Paper
C20 H24 N4 O4 SP c a 2128.5394; 8.0288; 9.1435
90; 90; 90
2095.12Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022204 CIF
HKL
Paper
C17 H20 N4 O3 SP 1 21/c 18.0154; 14.2211; 15.9349
90; 102.337; 90
1774.44Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022205 CIF
HKL
Paper
C22 H22 N4 O3 SC 1 2/c 125.4485; 8.9445; 19.0694
90; 110.315; 90
4070.7Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022206 CIF
HKL
Paper
C21 H20 N4 O4 SP -19.2791; 11.1445; 11.4872
65.567; 73.829; 73.034
1017.32Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022207 CIF
HKL
Paper
C13 H13 F N2 O3C 1 2/c 116.0881; 7.1958; 23.177
90; 108.838; 90
2539.4Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak
Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Acta Crystallographica Section C, 2020, 76
2022208 CIF
HKL
Paper
C53 H52 Cl4 F4 N8 O12P 1 2/n 116.207; 9.1642; 17.963
90; 91.607; 90
2666.89Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak
Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Acta Crystallographica Section C, 2020, 76
2022209 CIF
HKL
Paper
C15 H17 F N2 O4P -17.3353; 8.9091; 12.5006
82.389; 79.38; 65.898
731.44Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak
Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Acta Crystallographica Section C, 2020, 76
2022210 CIF
HKL
Paper
C15 H11 I N2 O2 SP 1 21/c 110.9586; 10.2679; 12.9392
90; 93.624; 90
1453.03Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.
Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors
Acta Crystallographica Section C, 2020, 76
2022211 CIF
HKL
Paper
C15 H14 N2 O4 SP 1 21/n 110.048; 13.802; 10.543
90; 90.487; 90
1462.1Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.
Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors
Acta Crystallographica Section C, 2020, 76
2022212 CIF
HKL
Paper
C15 H16 N2 O2 SP 1 21/n 110.3376; 12.6151; 10.885
90; 96.59; 90
1410.13Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.
Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors
Acta Crystallographica Section C, 2020, 76
2022213 CIF
HKL
Paper
C5 H10 Cl2 N8C 1 2/c 118.962; 5.9225; 11.6649
90; 127.027; 90
1045.8Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun
Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride
Acta Crystallographica Section C, 2020, 76
2022214 CIF
HKL
Paper
C10 H11 N5 OP -18.4476; 8.5662; 8.6125
110.812; 115.048; 92.854
512.82Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole
Acta Crystallographica Section C, 2020, 76
2022215 CIF
HKL
Paper
C10 H11 N5 OP 21 21 214.824; 8.2685; 26.527
90; 90; 90
1058.1Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole
Acta Crystallographica Section C, 2020, 76
2022216 CIF
HKL
Paper
C29 H27 N5 O5 ZnP -111.588; 11.995; 20.431
80.65; 89.97; 89.99
2802Chen, Ning-Ning; Zhang, Chen; Tao, Jian-Qing
A twofold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties
Acta Crystallographica Section C, 2020, 76
2022217 CIF
HKL
Paper
C40.5 H54 Fe N21 O2.5P -112.5006; 12.7609; 15.0775
84.538; 86.265; 85.919
2384Hao, Xiaoyun; Cao, Tong; Dou, Yong; Yang, Lu; Zhou, Zhen; Zhang, Daopeng; Hao, Hongguo
A rare octacoordinated mononuclear iron(III) spin-crossover compound: synthesis, crystal structure and magnetic properties
Acta Crystallographica Section C, 2020, 76
2022218 CIF
HKL
Paper
C20 H40 B N5 O8P 1 21 19.72506; 13.58223; 10.4099
90; 116.071; 90
1235.11Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Acta Crystallographica Section C, 2020, 76, 695-705
2022219 CIF
HKL
Paper
C16 H44.75 B N5 O14.375P 21 21 2110.40272; 17.5277; 30.9259
90; 90; 90
5638.9Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Acta Crystallographica Section C, 2020, 76, 695-705
2022220 CIF
HKL
Paper
C26 H55 B N5 O9.5P 1 21 111.49802; 10.19256; 14.65365
90; 107.916; 90
1634.05Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Acta Crystallographica Section C, 2020, 76, 695-705
2022221 CIF
HKL
Paper
C25 H45 B N6 O9P 21 21 2110.41666; 15.3809; 18.0053
90; 90; 90
2884.77Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Acta Crystallographica Section C, 2020, 76, 695-705
2022222 CIF
HKL
Paper
C64 H82 Br2 Cu N4 O4P -110.2725; 12.254; 12.7472
109.923; 105.202; 94.953
1428.23Nalaoh, Phattananawee; Bureekaew, Sareeya; Promarak, Vinich; Lindsey, Jonathan S.
Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle π‒π stacking in a compact supramolecular package
Acta Crystallographica Section C, 2020, 76, 647-654
2022223 CIF
HKL
Paper
C68 H58 Co4 N12 O26P -110.66; 12.24; 14.649
109.48; 107.32; 98.87
1650.6Li, Shao-Dong; Su, Feng; Zhu, Miao-Li; Lu, Li-Ping
A novel three-dimensional tetranuclear Co^II^ coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate
Acta Crystallographica Section C, 2020, 76
2022224 CIF
HKL
Paper
Ba2 P2 ZnI b a m6.756; 13.108; 6.385
90; 90; 90
565.4Balvanz, Adam; Baranets, Sviatoslav; Bobev, Svilen
Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba~2~ZnP~2~
Acta Crystallographica Section C, 2020, 76
2022225 CIF
HKL
Paper
C21 H19 N O2P 1 21/c 18.2595; 6.4279; 31.9064
90; 93.674; 90
1690.47Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022226 CIF
HKL
Paper
C20 H16 Br N OP 1 21/c 18.0849; 6.6692; 31.1063
90; 95.005; 90
1670.85Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022227 CIF
HKL
Paper
C21 H16 F3 N OP 1 21/c 18.0822; 6.6567; 32.1024
90; 90.576; 90
1727.05Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022228 CIF
HKL
Paper
C22 H21 N O3P -19.5301; 10.3513; 10.3621
65.374; 86.583; 76.376
902.23Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022229 CIF
HKL
Paper
C21 H18 Br N O2P 1 21/n 19.5709; 10.6119; 18.2074
90; 90.939; 90
1849Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022230 CIF
HKL
Paper
C22 H18 F3 N O2P -18.7465; 9.9436; 11.1116
105.446; 99.763; 97.204
903.08Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022231 CIFC26 H21 N OP b c a13.273; 14.8012; 20.137
90; 90; 90
3956Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022232 CIFC28 H23 N OP 1 21/n 110.8168; 17.3361; 12.8892
90; 114.132; 90
2205.8Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry
Acta Crystallographica Section C, 2020, 76
2022233 CIF
HKL
Paper
C15 H8 Br F O3P 1 21/c 13.8598; 11.7229; 27.679
90; 93.255; 90
1250.4Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols
Acta Crystallographica Section C, 2020, 76
2022234 CIF
HKL
Paper
C15 H8 Br Cl O3P 1 21/c 126.4034; 3.9818; 26.2773
90; 104.605; 90
2673.35Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols
Acta Crystallographica Section C, 2020, 76
2022235 CIF
HKL
Paper
C15 H8 Br2 O3P -17.0725; 7.0884; 14.6069
92.23; 103.091; 101.219
696.98Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols
Acta Crystallographica Section C, 2020, 76
2022236 CIF
HKL
Paper
C15 H8 Br I O3I 1 2/a 126.4214; 4.76309; 46.6213
90; 106.034; 90
5638.9Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols
Acta Crystallographica Section C, 2020, 76
2022237 CIF
HKL
Paper
C5 H12 N10 OP -15.4364; 5.6202; 15.844
83.623; 87.617; 86.146
479.72Yan, Biao; Li, Hongya; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun
Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate
Acta Crystallographica Section C, 2020, 76
2022238 CIF
HKL
Paper
C14 H12 F3 N3 O5 SI b a 217.6719; 25.7296; 6.8887
90; 90; 90
3132.2Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter
Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation
Acta Crystallographica Section C, 2020, 76
2022239 CIF
HKL
Paper
C17 H16 F3 N3 O7 SP 1 21 18.8165; 16.1649; 13.4246
90; 90.0022; 90
1913.25Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter
Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation
Acta Crystallographica Section C, 2020, 76
2022240 CIF
HKL
Paper
C84 H138 N4 O18 Zn5P 1 21/n 114.5681; 19.477; 17.8029
90; 109.21; 90
4770.2Abu Ali, Hijazi; Darawsheh, Mohanad
Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU
Acta Crystallographica Section C, 2020, 76
2022241 CIF
HKL
Paper
C106 H182 N6 O24 Zn6P 1 21/n 115.3595; 24.8498; 16.6739
90; 106.631; 90
6097.9Abu Ali, Hijazi; Darawsheh, Mohanad
Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU
Acta Crystallographica Section C, 2020, 76
2022242 CIF
HKL
Paper
C54 H52 B Co N7 S2P b c a26.26089; 12.39989; 29.17764
90; 90; 90
9501.18Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.
Conformational polymorphism in a cobalt(II) dithiocarbamate complex
Acta Crystallographica Section C, 2020, 76
2022243 CIF
HKL
Paper
C54 H52 B Co N7 S2P -111.69503; 15.27162; 15.43643
117.441; 100.791; 94.2199
2362.76Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.
Conformational polymorphism in a cobalt(II) dithiocarbamate complex
Acta Crystallographica Section C, 2020, 76
2022244 CIF
HKL
Paper
C15 H20 O4P 21 21 217.366; 12.8932; 14.9661
90; 90; 90
1421.35Arancibia, Luz; Naspi, Mariana; Pucci, Graciela; Rodriguez, Maricel; Di Salvo, Florencia
Revisiting the absolute chirality and polymorphism of (‒)-Istanbulin A
Acta Crystallographica Section C, 2020, 76
2022245 CIF
HKL
Paper
C10 H8 N2 O2P 21 21 214.5999; 10.2684; 18.711
90; 90; 90
883.79Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
Synthesis and structures of three isoxazole-containing Schiff bases
Acta Crystallographica Section C, 2020, 76, 927-931
2022246 CIF
HKL
Paper
C11 H10 N2 O2P n a 2120.5584; 10.0468; 4.6417
90; 90; 90
958.73Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
Synthesis and structures of three isoxazole-containing Schiff bases
Acta Crystallographica Section C, 2020, 76, 927-931
2022247 CIF
HKL
Paper
C18 H24 N2 O2P -110.8955; 10.9571; 14.8329
82.335; 88.326; 75.178
1696.56Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
Synthesis and structures of three isoxazole-containing Schiff bases
Acta Crystallographica Section C, 2020, 76, 927-931
2022248 CIF
Paper
Bi In0.14 Li2.56F d -3 m :213.337; 13.337; 13.337
90; 90; 90
2372.3Ovchinnikov, Alexander; Bobev, Svilen
Electronic stabilization by occupational disorder in the ternary bismuthide Li~3 -~ <i>~x~</i>~-~<i>~y~</i>In<i>~x~</i>Bi (<i>x</i> ≃0.14, <i>y</i> ≃0.29)
Acta Crystallographica, Section C, 2020, 76, 585-590
2022249 CIF
HKL
Paper
C26 H21 Ag N2 O5P -17.9269; 11.3939; 13.6589
78.61; 81.339; 70.031
1132.01Chen, Zhao; Zhang, Zilong; Zhang, Chong; Xiao, Yu
A new ladder-type silver(I) coordination polymer with 4,4'-bipyridine and 4-[(4-carboxybenzyloxy)methyl]benzoate ligands: synthesis, crystal structure, fluorescence properties and Hirshfeld surface analysis
Acta Crystallographica Section C, 2020, 76, 952-957
2022250 CIF
HKL
Paper
C18 H20 O5P 1 21/c 19.9167; 6.9587; 23.2803
90; 96.988; 90
1594.58Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej
Two new polymorphic forms of combretastatin A-4, an antitumour agent
Acta Crystallographica Section C, 2020, 76, 958-964
2022251 CIF
HKL
Paper
C18 H20 O5P c a 2125.9293; 8.8657; 14.3503
90; 90; 90
3298.87Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej
Two new polymorphic forms of combretastatin A-4, an antitumour agent
Acta Crystallographica Section C, 2020, 76, 958-964
2022252 CIF
HKL
Paper
C5 H10 N10 O6P b c n7.7416; 8.9487; 17.168
90; 90; 90
1189.4Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun
Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate
Acta Crystallographica Section C, 2020, 76, 965-971
2022253 CIF
HKL
Paper
C12 H16 N2 Na2 O10 S2C 1 2/c 121.2141; 5.537; 15.3045
90; 90.31; 90
1797.68Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022254 CIF
HKL
Paper
C12 H16 Ca N2 O10 S2P -16.3875; 6.747; 11.303
94.289; 103.16; 108.456
444.21Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022255 CIF
HKL
Paper
C12 H18 N3 Na O10 S2P 1 21/c 113.9454; 19.517; 6.9014
90; 93.838; 90
1874.2Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981

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