Crystallography Open Database

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2021705 CIF
HKL
Paper
C5 H7 N5 O5P 1 21/n 16.1156; 13.754; 10.0367
90; 96.52; 90
838.8Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria
Differences and similarities among hypoxanthinium nitrate hydrate structures
Acta Crystallographica Section C, 2019, 75
2021706 CIF
HKL
Paper
C28 H26 Cu N10 O6P 1 21/n 19.2402; 25.5312; 12.5727
90; 103.173; 90
2888Qian, Lin-Lu; Wang, Zhi-Xiang; Tian, Hai-Xin; Li, Min; Li, Bao-Long; Li, Hai-Yan
Synthesis, structure and photocatalytic degradation of organic dyes of a copper(II) metal‒organic framework (Cu‒MOF) with a 4-coordinated three-dimensional CdSO~4~ topology
Acta Crystallographica Section C, 2019, 75
2021707 CIF
HKL
Paper
C9 H9 Cd N O8P 1 21/n 17.0872; 8.4024; 17.4973
90; 93.608; 90
1039.89Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei
Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization
Acta Crystallographica Section C, 2019, 75
2021708 CIF
HKL
Paper
C18 H18 N2 O17 Zn3P -17.248; 9.3135; 17.2244
102.62; 95.86; 99.15
1108.83Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei
Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization
Acta Crystallographica Section C, 2019, 75
2021709 CIF
HKL
Paper
C33 H27 N O2 SP 1 21/c 116.4855; 9.2994; 19.0422
90; 113.403; 90
2679.11Jia, Lei; Zhang, Jun; Du, Lin
A novel tetraphenylethylene derivative: 4-methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide with aggregation-induced emission
Acta Crystallographica Section C, 2019, 75
2021710 CIF
HKL
Paper
C24 H28 Al N3 O10P -112.413; 13.394; 16.368
87.899; 79.578; 66.635
2455.1Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon
Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand
Acta Crystallographica Section C, 2019, 75
2021711 CIF
HKL
Paper
C24 H28 Ga N3 O10P -112.399; 13.58; 16.419
86.818; 78.871; 66.124
2479.7Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon
Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand
Acta Crystallographica Section C, 2019, 75
2021712 CIF
HKL
Paper
C20 H23 F3 N4 O3 SP 1 21/c 115.051; 5.295; 26.548
90; 97.372; 90
2098.3Zhang, Gang; Aldrich, Courtney C.
Macozinone: revised synthesis and crystal structure of a promising new drug for treating drug-sensitive and drug-resistant tuberculosis
Acta Crystallographica Section C, 2019, 75
2021713 CIF
HKL
Paper
C4 H8 Ba O8P -16.8216; 8.1815; 8.8083
95.146; 106.652; 108.317
438.3Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.
New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies
Acta Crystallographica Section C, 2019, 75
2021714 CIF
HKL
Paper
C4 H6 O7 SrP -16.0313; 7.7677; 8.6375
101.27; 94.952; 111.578
363.45Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.
New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies
Acta Crystallographica Section C, 2019, 75
2021715 CIF
HKL
Paper
C4 H8 Ba0.85 O8 Sr0.15P -16.8271; 8.1878; 8.8227
95.18; 106.64; 108.33
439.6Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.
New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies
Acta Crystallographica Section C, 2019, 75
2021716 CIF
HKL
Paper
C28 H26 Cd Cl2 N12 O15I 1 2/a 115.146; 12.2411; 17.6555
90; 99.104; 90
3232.2Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra
Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions
Acta Crystallographica Section C, 2019, 75
2021717 CIF
HKL
Paper
C28 H24 Cl2 N12 O14 PbI 1 2/a 115.2909; 14.2702; 15.4064
90; 92.174; 90
3359.32Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra
Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions
Acta Crystallographica Section C, 2019, 75
2021718 CIF
Paper
C17 H14 Br N3 O2 SP b c a22.1247; 8.7081; 18.2738
90; 90; 90
3520.7Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir
Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study
Acta Crystallographica Section C, 2019, 75
2021719 CIF
HKL
Paper
C18 H18 Br N3 O3 SP -19.0092; 9.2165; 11.6947
80.899; 79.931; 88.024
944.03Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir
Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study
Acta Crystallographica Section C, 2019, 75
2021720 CIF
HKL
Paper
C19 H20 Br N3 O3 SP 1 21/n 113.292; 7.366; 20.193
90; 92.857; 90
1974.6Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir
Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study
Acta Crystallographica Section C, 2019, 75
2021721 CIF
HKL
Paper
C25 H24 Br N7 O4 SP 1 21/c 115.1245; 6.6975; 25.826
90; 101.045; 90
2567.6Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir
Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study
Acta Crystallographica Section C, 2019, 75
2021722 CIF
Paper
C23 H20 Br N5 O3 SP 1 21/c 114.0851; 6.9721; 23.1952
90; 95.476; 90
2267.4Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir
Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study
Acta Crystallographica Section C, 2019, 75
2021723 CIF
Paper
C18 H18 Br N5 O3 SP -110.8067; 12.1242; 7.5869
97.387; 92.495; 95.23
980.16Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir
Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study
Acta Crystallographica Section C, 2019, 75
2021724 CIF
HKL
Paper
C18 H18 Br N5 O3 SP 1 21/c 110.9993; 15.229; 24.0797
90; 103.193; 90
3927.1Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir
Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study
Acta Crystallographica Section C, 2019, 75
2021725 CIF
HKL
Paper
C44 H34 Co2 N8 O8P 1 n 110.4597; 12.798; 15.0545
90; 98.709; 90
1992Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun
Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties
Acta Crystallographica Section C, 2019, 75
2021726 CIF
HKL
Paper
C44 H46 Co2 N2 O14C 1 2/c 121.263; 12.366; 19.608
90; 120.91; 90
4423Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun
Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties
Acta Crystallographica Section C, 2019, 75
2021727 CIF
HKL
Paper
C36 H50 Al2 N4 O34 S4P -18.1442; 9.2736; 17.1777
76.525; 80.08; 76.808
1218.6Ke, Hua; Liao, Jian-Zhen; Lu, Can-Zhong
Structural characterization and photochromic behaviour of a novel compound based on a π-acidic naphthalene diimide derivative and a double hydroxide-bridged dinuclear Al^III^ aqua ion cluster
Acta Crystallographica Section C, 2019, 75
2021728 CIF
HKL
Paper
C22 H25.32 Cd N2 O13.66P -110.4471; 10.9855; 11.6347
83.241; 70.219; 79.242
1232.25Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei
Effect of pH on the construction of Cd^II^ coordination polymers involving the 1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium) ligand
Acta Crystallographica Section C, 2019, 75
2021729 CIF
HKL
Paper
C22 H14 Cd N2 O8P 1 21/c 14.6802; 15.507; 12.8345
90; 93.757; 90
929.5Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei
Effect of pH on the construction of Cd^II^ coordination polymers involving the 1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium) ligand
Acta Crystallographica Section C, 2019, 75
2021730 CIF
HKL
Paper
C22 H16 N4 O7P 1 21/c 110.7545; 6.47168; 30.0313
90; 96.456; 90
2076.91Pawledzio, Sylwia; Trzybiński, Damian; Woźniak, Krzysztof
Crystal structure and energetic features of the cocrystal of carbamazepine with 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2019, 75
2021731 CIF
HKL
Paper
C18 H15 F O2P -17.3336; 7.9301; 12.578
107.14; 104.982; 94.285
666.16Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige
Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives
Acta Crystallographica Section C, 2019, 75
2021732 CIF
HKL
Paper
C19 H19 Cl F N3 OP 1 21/c 117.1415; 11.7917; 17.3364
90; 101.165; 90
3437.8Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige
Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives
Acta Crystallographica Section C, 2019, 75
2021733 CIF
HKL
Paper
C19 H19 Cl F N3 OP 1 21/c 18.7725; 11.9161; 17.1473
90; 102.626; 90
1749.1Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige
Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives
Acta Crystallographica Section C, 2019, 75
2021734 CIF
HKL
Paper
C39 H58 Cu2 N8 O11 S2P 1 21 112.6321; 13.9512; 14.792
90; 113.077; 90
2398.2Asano, Akiko; Doi, Mitsinobu
A bis-copper(II)‒[<small>D</small>-βVal^3,7^]ascidiacyclamide complex enveloping two square pyramids and sharing an apex atom from a carbonate anion
Acta Crystallographica Section C, 2019, 75, 1182-1187
2021735 CIF
HKL
Paper
C16 H15 N3P 1 21/c 116.9417; 7.45114; 23.0287
90; 104.983; 90
2808.2Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.
Synthesis, crystal structure studies and solvatochromic behaviour of two 2-{5-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile derivatives
Acta Crystallographica Section C, 2019, 75, 1175-1181
2021736 CIF
HKL
Paper
C18 H17 N3P 1 21/c 113.6175; 11.6514; 19.723
90; 104.121; 90
3034.7Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.
Synthesis, crystal structure studies and solvatochromic behaviour of two 2-{5-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile derivatives
Acta Crystallographica Section C, 2019, 75, 1175-1181
2021737 CIF
HKL
Paper
C16 H22 O11P 21 21 218.8434; 15.1918; 43.0639
90; 90; 90
5785.5Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains
Acta Crystallographica Section C, 2019, 75, 1166-1174
2021738 CIF
HKL
Paper
C40 H54 O27P 1 21 19.1043; 21.477; 13.8106
90; 91.8362; 90
2699.04Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains
Acta Crystallographica Section C, 2019, 75, 1166-1174
2021739 CIF
HKL
Paper
C25 H30 N4 O4P 1 21/c 19.2613; 10.882; 23.583
90; 95.54; 90
2365.6Breton, Gary W.; Hahn, Lauren A.; Martin, Kenneth L.
Structural verification of a tetrahydrotetrazole compound
Acta Crystallographica Section C, 2019, 75
2021740 CIF
HKL
Paper
C16 H15.72 N2 Na O3.36P 1 21/c 115.9687; 18.7065; 15.8249
90; 106.077; 90
4542.31Shah, Harsh S.; Chaturvedi, Kaushalendra; Zeller, Matthias; Bates, Simon; Morris, Kenneth
A threefold superstructure of the anti-epileptic drug phenytoin sodium as a mixed methanol solvate hydrate
Acta Crystallographica Section C, 2019, 75
2021741 CIF
HKL
Paper
Ba Li O14 P3 Sb2C 1 2/c 115.5757; 13.7204; 9.5959
90; 92.513; 90
2048.7Zhang, Shi-Rui; Zhao, Dan; Zhang, Rui-Juan; Shi, Lin-Ying; Dai, Shao-Jie; Fan, Yun-Chang
A novel stibium phosphate, LiBa(SbO)~2~(PO~4~)~3~: synthesis, crystal structure and RE^3+^-activated (RE = Tb^3+^ and Eu^3+^) fluorescence performance
Acta Crystallographica Section C, 2019, 75
2021742 CIF
HKL
Paper
C6 H6 N4 S6 ZnI -418.1367; 18.1367; 8.7103
90; 90; 90
2865.2Zhang, Jun; Ma, Xiaofan; Kong, Weili; Xie, Fazhi; Yuan, Shizhen; Song, Xiaojie; Lu, Zhansheng; Xuan, Xiaopeng
A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione
Acta Crystallographica Section C, 2019, 75
2021743 CIF
HKL
Paper
C16 H29 N7 O3 SP 1 21/n 17.9854; 28.569; 8.8257
90; 91.61; 90
2012.7Jia, Lina; Wu, Songgu; Gong, Junbo
A tolbutamide‒metformin salt based on antidiabetic drug combinations: synthesis, crystal structure analysis and pharmaceutical properties
Acta Crystallographica Section C, 2019, 75
2021744 CIF
HKL
Paper
C19 H16 OR -3 :H19.1399; 19.1399; 26.7399
90; 90; 120
8483.4Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain
Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers
Acta Crystallographica Section C, 2019, 75
2021745 CIF
HKL
Paper
C19 H16 OR -3 :H19.3309; 19.3309; 26.8542
90; 90; 120
8690.5Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain
Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers
Acta Crystallographica Section C, 2019, 75
2021746 CIF
HKL
Paper
C39 H41 B N2 OP 1 n 110.673; 10.0539; 15.0271
90; 96.095; 90
1603.37Wang, Shengpei; Yu, Shasha; Feng, Jianxiang; Liu, Shenggao
A highly efficient antioxidant based on boron and a Schiff base bridged phenolic diphenylamine: synthesis, crystal structure and thermal and antioxidant properties
Acta Crystallographica Section C, 2019, 75
2021747 CIF
HKL
Paper
C51 H69.5 La N6 O15.25P -112.947; 13.889; 16.289
77.482; 73.859; 85.101
2745.8Zhou, Lian; Shi, Pei-Dong; Guo, Xiao-Kun; Feng, Xiu-Cun; Wang, Lin-Lin; Zhang, Jun
A new lanthanum coordination polymer built from a semi-rigid tripodal carboxylic acid ligand: synthesis, crystal structure and properties
Acta Crystallographica Section C, 2019, 75
2021748 CIF
HKL
Paper
C64 H56 O38 Zn6P -111.1726; 17.3565; 18.1282
106.232; 94.712; 100.804
3281.5An, Yanyan; Lu, Liping; Zhu, Miaoli
Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions
Acta Crystallographica Section C, 2019, 75
2021749 CIF
HKL
Paper
C28 H24 N2 O10 ZnP -110.1554; 11.4754; 12.0367
78.223; 73.5756; 82.7987
1313.74An, Yanyan; Lu, Liping; Zhu, Miaoli
Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions
Acta Crystallographica Section C, 2019, 75
2021750 CIF
HKL
Paper
C74 H58 N8 O22 Zn5P -110.7681; 11.4698; 14.7034
99.5851; 99.7806; 100.146
1725.11An, Yanyan; Lu, Liping; Zhu, Miaoli
Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions
Acta Crystallographica Section C, 2019, 75
2021751 CIFC12 H12 F4 I2 N2P -16.77971; 10.82624; 11.36217
107.326; 92.9637; 104.772
762.42Wang, Ruimin; George, Janine; Potts, Shannon Kimberly; Kremer, Marius; Dronskowski, Richard; Englert, Ulli
The many flavours of halogen bonds ‒ message from experimental electron density and Raman spectroscopy
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2021752 CIF
HKL
Paper
C25 H17 N5P -18.6303; 10.4227; 11.3529
74.989; 82.851; 75.116
951.43Granifo, Juan; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo
Structural characterization of a hybrid terpyridine‒pyrazine ligand and its one-dimensional Zn^II^ coordination polymer: a computational approach to <i>conventional</i> and <i>nonconventional</i> intermolecular interactions
Acta Crystallographica Section C, 2019, 75
2021753 CIF
HKL
Paper
C35 H31 N5 O4 ZnP -110.8329; 11.2168; 14.259
65.938; 88.829; 76.828
1535.3Granifo, Juan; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo
Structural characterization of a hybrid terpyridine‒pyrazine ligand and its one-dimensional Zn^II^ coordination polymer: a computational approach to <i>conventional</i> and <i>nonconventional</i> intermolecular interactions
Acta Crystallographica Section C, 2019, 75
2021754 CIF
HKL
Paper
C8 H8 Co N2 O6 S2P 1 21/n 15.0481; 18.633; 6.7533
90; 109.517; 90
598.73Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus
Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids
Acta Crystallographica Section C, 2019, 75
2021755 CIF
HKL
Paper
C8 H8 N2 Ni O6 S2P 1 21/n 15.071; 18.239; 6.8383
90; 109.78; 90
595.2Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus
Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids
Acta Crystallographica Section C, 2019, 75
2021756 CIF
HKL
Paper
C8 H8 Cd N2 O6 S2P 1 21/n 15.0198; 19.052; 6.8982
90; 109.281; 90
622.72Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus
Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids
Acta Crystallographica Section C, 2019, 75
2021757 CIF
HKL
Paper
C8 H10 Co N4 O6P 1 21/c 15.1145; 10.6123; 10.4179
90; 97.858; 90
560.14Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus
Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids
Acta Crystallographica Section C, 2019, 75
2021758 CIF
HKL
Paper
C8 H8 Co N2 O8P 1 21/c 15.1664; 10.9879; 9.755
90; 99.378; 90
546.37Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus
Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids
Acta Crystallographica Section C, 2019, 75
2021759 CIF
Paper
C16 H14 O6P b a 212.28767; 13.972; 3.93043
90; 90; 90
674.789Marcos R. Imer; Virginia Aldabalde; Silvina Pagola; Jacco van de Streek; Leopoldo Suescun
Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin
Acta Crystallographica, Section C, 2018, 74, 1768-1773
2021761 CIF
HKL
Paper
C22 H15 N5 O2P 1 21/c 17.7222; 11.5401; 20.416
90; 95.965; 90
1809.52Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping
Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2021762 CIF
HKL
Paper
C53 H32 Ag4 Cl2 F12 N10 O12C 1 2/c 120.37; 15.0076; 19.5451
90; 90.133; 90
5975Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping
Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2021763 CIF
HKL
Paper
C28 H16 Ag2 F6 N8 O6P -17.4159; 9.5352; 11.158
78.97; 82.579; 72.591
736.8Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping
Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2021764 CIF
HKL
Paper
C65.89 H107.18 N10 O12.7P 114.4354; 14.4617; 28.6558
93.284; 101.441; 113.33
5322.26Asano, Akiko; Matsuoka, Shiori; Minami, Chisato; Kato, Takuma; Doi, Mitsinobu
[Leu^2^]Gramicidin S preserves the structural properties of its parent peptide and forms helically aligned β-sheets
Acta Crystallographica Section C, 2019, 75
2021765 CIF
HKL
Paper
C44.5 H38 Br Cl N2 Ni P2C 1 2/c 128.319; 11.655; 23.593
90; 97.421; 90
7722Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.
Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands
Acta Crystallographica Section C, 2019, 75, 1381-1388
2021766 CIF
HKL
Paper
C46 H54 Br N2 Ni O0.5 P2P -110.1057; 13.8342; 15.3868
74.892; 85.365; 89.151
2070Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.
Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands
Acta Crystallographica Section C, 2019, 75, 1381-1388
2021767 CIF
HKL
Paper
C44 H61 Br N2 Ni P2P 1 21/c 121.9686; 10.4728; 17.5599
90; 93.74; 90
4031.5Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.
Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands
Acta Crystallographica Section C, 2019, 75, 1381-1388
2021768 CIF
HKL
Paper
C44 H73 Br N2 Ni P2P 1 21/c 117.569; 11.612; 20.608
90; 91.521; 90
4203Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.
Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands
Acta Crystallographica Section C, 2019, 75, 1381-1388
2021769 CIF
HKL
Paper
C16 H16 Cu N6 O7P 1 21/n 118.8929; 12.8744; 8.4047
90; 110.904; 90
1909.76Marandi, Farzin; Moeini, Keyvan; Krautscheid, Harald
Coordination of a triazine ligand with Cu^II^ and Ag^I^ investigated by spectral, structural, theoretical and docking studies
Acta Crystallographica Section C, 2019, 75
2021770 CIF
HKL
Paper
C14 H10 Ag N5 O3P 1 21/c 16.1435; 16.2987; 13.9126
90; 102.414; 90
1360.51Marandi, Farzin; Moeini, Keyvan; Krautscheid, Harald
Coordination of a triazine ligand with Cu^II^ and Ag^I^ investigated by spectral, structural, theoretical and docking studies
Acta Crystallographica Section C, 2019, 75
2021772 CIF
HKL
Paper
C10 H9 N5 OP b c a12.251; 7.457; 20.863
90; 90; 90
1906Fusco, Sandra; Capasso, Domenica; Centore, Roberto; Di Gaetano, Sonia; Parisi, Emmanuele
A new biologically active molecular scaffold: crystal structure of 7-(3-hydroxyphenyl)-4-methyl-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole and selective antiproliferative activity of three isomeric triazolo‒triazoles
Acta Crystallographica Section C, 2019, 75, 1398-1404
2021773 CIF
HKL
Paper
C8 H8 F5 N2 O3 PP 1 21/n 110.5273; 10.3266; 21.1193
90; 92.647; 90
2293.46Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Kaur, Manpreet; Jasinski, Jerry P.
The synergistic co-operation of N—H···O=P hydrogen bonds and C—H···O<i>X</i> weak intermolecular interactions (<i>X</i> is =P or —C) in the (CH~3~O)~2~P(O)(NH‒NHC~6~F~5~) amidophosphoester: a combined X-ray crystallographic and theoretical study
Acta Crystallographica Section C, 2019, 75
2021774 CIF
HKL
Paper
C25 H22 N6 OP 1 21/n 19.7167; 16.1179; 13.9936
90; 91.395; 90
2190.9Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher
A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples
Acta Crystallographica Section C, 2019, 75
2021775 CIF
HKL
Paper
C27 H26 N6 O3P 1 21/c 115.8911; 9.6209; 15.9244
90; 91.581; 90
2433.7Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher
A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples
Acta Crystallographica Section C, 2019, 75
2021776 CIF
HKL
Paper
C25 H20 N8 O5P 1 21/n 17.6614; 16.6048; 18.1311
90; 97.101; 90
2288.9Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher
A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples
Acta Crystallographica Section C, 2019, 75
2021777 CIF
HKL
Paper
C19 H20 N6 O2P -18.1992; 11.016; 11.424
109.105; 109.171; 97.138
889.35Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher
A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples
Acta Crystallographica Section C, 2019, 75
2021778 CIF
HKL
Paper
C25 H25 F3 N6 O4P 1 21/c 19.1818; 21.0771; 13.361
90; 91.777; 90
2584.5Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher
A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples
Acta Crystallographica Section C, 2019, 75
2021779 CIF
HKL
Paper
C22 H21 F3 N6 O3P 1 21/n 112.6296; 11.2206; 15.648
90; 104.18; 90
2149.9Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher
A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples
Acta Crystallographica Section C, 2019, 75
2021780 CIF
HKL
Paper
C43 H36 B F4 O P2 RhP 1 21/c 121.8106; 18.0754; 18.1455
90; 100.742; 90
7028.24Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef
Two precatalysts for application in propargylic CH activation
Acta Crystallographica Section C, 2019, 75
2021781 CIF
HKL
Paper
C45 H42 B Cl2 F4 O P2 RhP -111.3056; 12.8231; 14.6101
83.286; 74.695; 72.262
1944.29Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef
Two precatalysts for application in propargylic CH activation
Acta Crystallographica Section C, 2019, 75
2021782 CIF
HKL
Paper
C43 H36 Cl O P2 RhP -110.3662; 12.0008; 15.4693
83.69; 89.763; 64.953
1730.97Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef
Two precatalysts for application in propargylic CH activation
Acta Crystallographica Section C, 2019, 75
2021783 CIF
HKL
Paper
C16 H26 N2 O5P 1 21 16.4074; 8.1772; 16.3291
90; 99.241; 90
844.45Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.
How the oxazole fragment influences the conformation of the tetraoxazocane ring in a cyclohexanespiro-3'-(1,2,4,5,7-tetraoxazocane): single-crystal X-ray and theoretical study
Acta Crystallographica Section C, 2019, 75
2021784 CIF
HKL
Paper
C16 H20 N2 O5P 1 21/n 112.7626; 6.92827; 19.7011
90; 104.619; 90
1685.63Zemtsova, Viktoria M.; Fedorov, Alexey Yu.; Fedorova, Elizaveta A.; Boa, Callum; Arkhipov, Sergey G.; Rychkov, Denis A.; Minkov, Vasily S.; Pulham, Colin R.; Boldyreva, Elena V.
A novel crystal form of metacetamol: the first example of a hydrated form
Acta Crystallographica Section C, 2019, 75
2021785 CIF
HKL
Paper
C37 H42P n a 2124.372; 31.382; 7.543
90; 90; 90
5769Gupta, Sakuntala; Choudhury, Tanmay; Dmochowska, Ewelina; Kula, Przemyslaw; Borbone, Fabio; Centore, Roberto
Crystal structure and mesogenic behaviour of a new fluorene derivative: 9,9-dimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene
Acta Crystallographica Section C, 2019, 75
2021786 CIF
HKL
Paper
C32 H30 O3P -15.954; 7.88; 26.3
89.56; 86.85; 87.68
1231Vashchenko, Alexander; Smirnov, Vladimir; Semenova, Nadezhda; Schmidt, Elena
Unusual structure of a biphenyl fragment: the important role of weak interactions
Acta Crystallographica Section C, 2019, 75
2021787 CIF
HKL
Paper
Ba4 F23 Y Zr3P n 21 a19.564; 5.397; 17.161
90; 90; 90
1812Laval, Jean-Paul; Taoudi, Abdelkrim
Ba~4~YZr~3~F~23~ and Ba~4~LnZr~3~F~23~: a new noncentrosymmetric potential host structure type for optical devices
Acta Crystallographica Section C, 2019, 75
2021788 CIF
Paper
C6 H5 Cl3 SeP -18.6245; 9.5342; 11.7229
78.332; 77.789; 66.341
855.5Bloomfield, Hannah R.; Ritch, Jamie S.
A new polymorph of phenylselenium trichloride
Acta Crystallographica Section C, 2019, 75
2021789 CIF
Paper
C42 H36 Cl Fe Mn N10 O8P -110.404; 13.969; 16.226
113.317; 104.231; 90.973
2081.8Lan, Wenlong; Zhou, Zhen; Li, Jie; Dou, Yong; Hao, Xiaoyun; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng
A cyanide-bridged Fe^III^‒Mn^II^ heterobimetallic one-dimensional coordination polymer: synthesis, crystal structure, experimental and theoretical magnetism investigation
Acta Crystallographica Section C, 2019, 75
2021790 CIF
HKL
Paper
C13 H18 N2 O4P 21 21 217.347; 10.197; 18.477
90; 90; 90
1384.2Wang, Ai; Englert, Ulli
Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2021791 CIF
HKL
Paper
C13 H18 N2 O4P 21 21 217.3731; 10.1909; 18.4972
90; 90; 90
1389.85Wang, Ai; Englert, Ulli
Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2021792 CIF
HKL
Paper
C6 H8 Mn N2 O4 SC m c m6.6108; 7.3958; 16.9678
90; 90; 90
829.59Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw
Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine
Acta Crystallographica Section C, 2019, 75
2021793 CIF
HKL
Paper
C6 H8 Cu N2 O4 SP b c n7.0852; 7.2052; 16.431
90; 90; 90
838.81Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw
Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine
Acta Crystallographica Section C, 2019, 75
2021795 CIF
HKL
Paper
C16 H36 Cl3 Fe N4F d d 234.5658; 9.3832; 12.5209
90; 90; 90
4061Clendening, Reese A.; Zeller, Matthias; Ren, Tong
Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes
Acta Crystallographica Section C, 2019, 75
2021796 CIF
HKL
Paper
C16 H36 Cl6 Fe2 N4P 1 21/c 16.5569; 19.1663; 20.2946
90; 95.3558; 90
2539.32Clendening, Reese A.; Zeller, Matthias; Ren, Tong
Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes
Acta Crystallographica Section C, 2019, 75
2021797 CIF
HKL
Paper
C8 H6 Cu2 N6C 1 2/c 116.687; 4.5071; 13.933
90; 114.21; 90
955.7Qin, Ying-Lian; Sun, Hong; Jing, Yan; Jiang, Xiu-Ping; Wang, Gao-Feng; Qin, Jian-Fang
A novel three-dimensional copper(I) cyanide coordination polymer constructed from various bridging ligands: synthesis, crystal structure and characterization
Acta Crystallographica Section C, 2019, 75
2021798 CIF
HKL
Paper
C26 H32 N2 OP 1 21/c 117.491; 16.604; 15.17
90; 101.362; 90
4319.3Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.
Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores
Acta Crystallographica Section C, 2019, 75
2021799 CIF
HKL
Paper
C27 H34 N2 OP -113.064; 13.3132; 14.9575
78.53; 66.274; 71.554
2251.5Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.
Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores
Acta Crystallographica Section C, 2019, 75
2021800 CIF
HKL
Paper
C28 H36 N2 OP -111.224; 13.874; 16.93
87.69; 77.11; 67.445
2370Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.
Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores
Acta Crystallographica Section C, 2019, 75
2021801 CIF
HKL
Paper
C17 H10 N2 O3P 1 21/n 113.9075; 5.1543; 18.801
90; 97.772; 90
1335.3Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones
Acta Crystallographica Section C, 2019, 75
2021802 CIF
HKL
Paper
C17 H10 N2 O3P 1 21/n 115.611; 3.8414; 21.974
90; 90.74; 90
1317.6Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones
Acta Crystallographica Section C, 2019, 75
2021803 CIF
HKL
Paper
C17 H10 N2 O3P 1 21/n 13.9158; 17.717; 18.832
90; 94.67; 90
1302.2Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones
Acta Crystallographica Section C, 2019, 75
2021804 CIF
HKL
Paper
C16 H9 N3 O3P 1 n 13.7788; 9.9655; 16.899
90; 93.466; 90
635.2Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones
Acta Crystallographica Section C, 2019, 75
2021805 CIF
HKL
Paper
C16 H9 N3 O3P c a 2120.931; 3.7708; 16.0887
90; 90; 90
1269.8Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones
Acta Crystallographica Section C, 2019, 75
2021806 CIFC16 H35 N7 O7P 1 21 18.8215; 15.0094; 16.6719
90; 95.666; 90
2196.7Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.
Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate
Acta Crystallographica Section C, 2018, 74, 542-547
2021807 CIFC16 H35 N7 O7P 1 21/c 18.8624; 15.0884; 16.7029
90; 95.302; 90
2223.95Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.
Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate
Acta Crystallographica Section C, 2018, 74, 542-547

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