Crystallography Open Database

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2021085 CIF
HKL
Paper
C18 H10 F9 N3 OP 1 21/n 111.9633; 7.8453; 20.0446
90; 95.191; 90
1873.6Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021086 CIF
HKL
Paper
C19 H18 F3 N3 O4P 1 21/c 130.656; 8.3363; 7.6723
90; 94.627; 90
1954.3Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021087 CIF
HKL
Paper
C17 H14 F3 N3 O3P 1 21/c 112.267; 8.4334; 15.686
90; 93.904; 90
1619Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021088 CIF
HKL
C16 H8 Mn N4 O8P 1 21/c 18.3422; 16.45; 11.8773
90; 93.108; 90
1627.51Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Meng, Xiang-Ru; Yang, Huai-Xia
A new two-dimensional managnese(II) coordination polymer constructed by 2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylate)
Acta Crystallographica Section C, 2018, 74, 599-603
2021089 CIF
HKL
Paper
C23 H17 Cl N6 O2P 1 21/c 111.8203; 9.1276; 21.1575
90; 100.468; 90
2244.71Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal
A Cu^II^ complex with an carbamoylcyanonitrosomethanide ligand formed <i>in situ</i> by the nucleophilic addition of water to dicyanonitrosomethanide: structure, spectral and magnetic properties
Acta Crystallographica Section C, 2018, 74, 584-589
2021090 CIF
Paper
C38 H36 As Cl O2 Pb2P b c a19.0566; 15.5255; 24.0975
90; 90; 90
7129.6Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021091 CIF
Paper
C14 H16 As Cl O2 PbP 1 21/c 17.3822; 19.95; 10.2878
90; 99.763; 90
1493.19Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021092 CIF
Paper
C30 H25 O2 P PbP 1 21/n 113.8277; 12.6242; 14.4713
90; 97.717; 90
2503.3Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021093 CIF
HKL
Paper
C20 H32 O5P 21 21 216.4641; 11.6518; 25.4249
90; 90; 90
1914.96Zhao, Chen-Liang; Sarwar, Md. Shahid; Ye, Jiang-Hai; Ku, Chuen Fai; Li, Wan-Fei; Luo, Guo-Yong; Zhang, Jing-Jie; Xu, Jun; Huang, Zhao-Feng; Tsang, Siu Wai; Pan, Lu-Tai; Zhang, Hong-Jie
Isolation, evaluation of bioactivity and structure determination of amethinol A, a prototypic amethane diterpene from <i>Isodon amethystoides</i> bearing a six/five/seven-membered carbon-ring system
Acta Crystallographica Section C, 2018, 74, 635-640
2021094 CIF
HKL
Paper
C23 H24 F2 N3 O2 PP 19.7608; 10.6134; 11.2721
77.398; 75.589; 87.635
1103.64Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan
Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides
Acta Crystallographica Section C, 2018, 74, 608-617
2021095 CIF
HKL
Paper
C23 H24 F2 N3 O2 PP 19.7524; 10.6117; 11.251
77.3381; 75.6221; 87.7313
1100.33Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan
Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides
Acta Crystallographica Section C, 2018, 74, 608-617
2021096 CIF
HKL
Paper
C52 H119 N20 Na5 O60 P8C 1 2 137.656; 7.031; 21.959
90; 120.9; 90
4989Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021097 CIF
HKL
Paper
C52 H105 N20 Na O51 P8C 1 2 139.474; 6.964; 18.656
90; 115.18; 90
4641Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021098 CIF
HKL
Paper
C10 H18 N10 O8 P2P 1 21/c 110.515; 11.955; 7.064
90; 96.62; 90
882.1Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021099 CIF
HKL
Paper
C10 H14 N10 O6 P2C 1 2/c 112.888; 11.093; 11.487
90; 101.44; 90
1609.6Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021100 CIF
HKL
Paper
As Nb0.92 NiP n m a6.2115; 3.715; 7.172
90; 90; 90
165.5Baranets, Sviatoslav; He, Hua; Bobev, Svilen
Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis
Acta Crystallographica Section C, 2018, 74, 623-627
2021101 CIF
HKL
Paper
As Co NbP n m a6.2656; 3.7273; 7.1589
90; 90; 90
167.19Baranets, Sviatoslav; He, Hua; Bobev, Svilen
Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis
Acta Crystallographica Section C, 2018, 74, 623-627
2021102 CIF
HKL
Paper
Ge Nb NiP n m a6.2989; 3.7613; 7.2033
90; 90; 90
170.66Baranets, Sviatoslav; He, Hua; Bobev, Svilen
Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis
Acta Crystallographica Section C, 2018, 74, 623-627
2021103 CIF
HKL
Paper
C38 H62 Mg O4P 1 21 116.847; 15.6786; 21.787
90; 106.954; 90
5504.7Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures
Acta Crystallographica Section C, 2018, 74, 548-557
2021104 CIF
HKL
Paper
C40 H66 Al2 O8C 1 2/c 127.7603; 9.0454; 18.4921
90; 118.401; 90
4084.5Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures
Acta Crystallographica Section C, 2018, 74, 548-557
2021105 CIF
HKL
Paper
C68 H86 O8 Zn7P b c a13.9163; 20.4248; 23.0316
90; 90; 90
6546.4Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures
Acta Crystallographica Section C, 2018, 74, 548-557
2021106 CIF
HKL
Paper
Cl3 Cu RbC 2 2 217.053; 11.864; 11.785
90; 90; 90
986.1Kornyakov, Ilya V.; Krivovichev, Sergey V.; Gurzhiy, Vladislav V.; Leoni, Matteo
ε-RbCuCl~3~, a new polymorph of rubidium copper trichloride: synthesis, structure and structural complexity
Acta Crystallographica Section C, 2018, 74, 529-533
2021107 CIF
HKL
Paper
C16 H35 N7 O7P 1 21/n 19.7361; 13.7118; 16.1437
90; 92.249; 90
2153.52Jurek, 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
2021108 CIF
HKL
Paper
C16 H35 N7 O7P 1 21 18.807; 14.9505; 16.6376
90; 95.903; 90
2179Jurek, 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
2021109 CIF
HKL
Paper
Bi5 La3 TiP 63/m c m9.6871; 9.6871; 6.4528
90; 90; 120
524.4Ovchinnikov, Alexander; Bobev, Svilen
Undistorted linear Bi chains with hypervalent bonding in La~3~TiBi~5~ from single-crystal X-ray diffraction
Acta Crystallographica Section C, 2018, 74, 618-622
2021110 CIF
HKL
Paper
C78 H126 La O18 P3P 1 21/c 123.511; 10.6098; 33.8618
90; 92.1502; 90
8440.8Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane
Acta Crystallographica Section C, 2018, 74, 590-598
2021111 CIF
HKL
Paper
C78 H126 Ce O18 P3P 1 21/c 123.578; 10.6366; 33.808
90; 92.022; 90
8473.4Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane
Acta Crystallographica Section C, 2018, 74, 590-598
2021112 CIF
HKL
Paper
C78 H126 Nd O18 P3P 1 21/c 123.5159; 10.6376; 33.6934
90; 92.038; 90
8423.2Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane
Acta Crystallographica Section C, 2018, 74, 590-598
2021113 CIF
HKL
C18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal
Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters
Acta Crystallographica Section C, 2018, 74, 534-541
2021114 CIFC18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal
Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters
Acta Crystallographica Section C, 2018, 74, 534-541
2021115 CIF
HKL
C18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal
Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters
Acta Crystallographica Section C, 2018, 74, 534-541
2021118 CIF
HKL
Paper
C18 H20 B N O6P -19.05; 10.006; 11.082
69.207; 79.497; 82.267
919.8Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia
Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates
Acta Crystallographica Section C, 2018, 74, 411-417
2021119 CIF
HKL
C17 H18 B N O6P 1 21/c 111.529; 8.885; 17.216
90; 108.308; 90
1674.3Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia
Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates
Acta Crystallographica Section C, 2018, 74, 411-417
2021120 CIF
HKL
Paper
C14 H14 N8 OP 1 21/c 15.8043; 31.562; 7.898
90; 95.86; 90
1439.3Chen, Xiang; Zhang, Cong; Bai, Yang; Guo, Zhaoqi; Yao, Yanru; Song, Jirong; Ma, Haixia
Synthesis, crystal structure and thermal properties of an unsymmetrical 1,2,4,5-tetrazine energetic derivative
Acta Crystallographica Section C, 2018, 74
2021121 CIF
HKL
Paper
C7 H11 Cl N2 O2P 1 21/n 110.2225; 9.6736; 10.2678
90; 112.165; 90
940.3Prodius, Denis; Wilk-Kozubek, Magdalena; Mudring, Anja-Verena
Synthesis, structural characterization and luminescence properties of 1-carboxymethyl-3-ethylimidazolium chloride
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021122 CIF
HKL
Paper
C24 H26 F N OP 1 21/c 113.4219; 8.3679; 18.5974
90; 98.348; 90
2066.6Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke
Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity
Acta Crystallographica Section C, 2018, 74
2021123 CIF
HKL
Paper
C26 H31 N O3P 1 21/c 119.1378; 16.2788; 7.5525
90; 98.386; 90
2327.8Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke
Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity
Acta Crystallographica Section C, 2018, 74
2021124 CIF
HKL
Paper
C27 H23 F N2 O3P -17.0689; 8.2072; 20.1397
94.401; 97.829; 106.575
1101.18Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke
Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity
Acta Crystallographica Section C, 2018, 74
2021125 CIF
HKL
Paper
C132 H203 La2 O23 P5P 1 21/n 127.4921; 16.9467; 30.909
90; 106.801; 90
13785.8Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization
Acta Crystallographica Section C, 2018, 74
2021126 CIF
HKL
Paper
C134 H211 Nd2 O25 P5P -115.094; 17.491; 27.444
102.142; 95.211; 90.412
7052Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization
Acta Crystallographica Section C, 2018, 74
2021127 CIFC23 H31 Cl F N3 O5P 1 21/n 112.3225; 14.5183; 13.8141
90; 98.361; 90
2445.1Zhou, Xin-Bo; Zhu, Jian-Rong; Gu, Jian-Ming; Hu, Xiu-Rong
A new polymorph of the gastrokinetic drug cisapride monohydrate
Acta Crystallographica Section C, 2018, 74
2021128 CIF
HKL
Paper
C21 H24 N6 O3 SP 1 21/c 110.801; 17.301; 11.777
90; 104.28; 90
2132.7Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher
A concise synthesis of a highly substituted 6-(1<i>H</i>-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates
Acta Crystallographica Section C, 2018, 74
2021129 CIF
HKL
Paper
C16 H22 N6 O4 SP 1 21/c 110.8498; 17.2238; 11.3806
90; 115.351; 90
1921.9Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher
A concise synthesis of a highly substituted 6-(1<i>H</i>-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates
Acta Crystallographica Section C, 2018, 74
2021130 CIF
HKL
Paper
C14 H14 N4 O6P b c a6.7095; 13.7764; 30.7205
90; 90; 90
2839.6Mnguni, Malitsatsi J.; Michael, Joseph P.; Lemmerer, Andreas
Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline‒3,4-dihydroxybenzoic acid
Acta Crystallographica Section C, 2018, 74
2021131 CIF
HKL
Paper
C4 H12 I3 N2 NaC 1 2/c 19.842; 9.309; 12.538
90; 93.45; 90
1146.6Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang
Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O
Acta Crystallographica Section C, 2018, 74
2021132 CIF
HKL
Paper
C12 H38 I7 N6 Na OP 1 21/n 112.186; 22.828; 12.214
90; 111.89; 90
3152.7Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang
Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O
Acta Crystallographica Section C, 2018, 74
2021133 CIF
HKL
Paper
C24 H31 N O6P 19.5552; 10.3175; 11.9645
91.085; 110.515; 93.998
1100.85Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry
Acta Crystallographica Section C, 2018, 74
2021134 CIF
HKL
Paper
C19 H27 N O8P 21 21 219.62162; 10.40235; 19.6935
90; 90; 90
1971.07Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry
Acta Crystallographica Section C, 2018, 74
2021135 CIF
HKL
Paper
C34 H50 N2 O12P 21 21 219.7885; 9.9965; 33.7661
90; 90; 90
3304.04Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry
Acta Crystallographica Section C, 2018, 74
2021136 CIF
HKL
Paper
C34 H50 N2 O12P 1 21 19.57929; 10.05214; 17.7765
90; 96.4731; 90
1700.83Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry
Acta Crystallographica Section C, 2018, 74
2021137 CIF
HKL
Paper
C96 H156 Co2 N4 O21P 1 21/c 123.849; 11.679; 18.319
90; 95.28; 90
5080.8Drath, Olga; Gable, Robert W.; Boskovic, Colette
Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021138 CIF
HKL
Paper
C56 H80 Co N4 O11P -110.072; 16.135; 18.192
75.34; 83.15; 78.7
2797.1Drath, Olga; Gable, Robert W.; Boskovic, Colette
Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021139 CIF
HKL
Paper
C56 H80 Co N4 O11P -110.066; 16.124; 18.205
75.36; 83.11; 78.68
2795.5Drath, Olga; Gable, Robert W.; Boskovic, Colette
Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021140 CIF
HKL
Paper
C56 H76 Co N4 O9P -110.168; 16.321; 18.515
75.33; 82.77; 78.77
2906Drath, Olga; Gable, Robert W.; Boskovic, Colette
Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021141 CIF
HKL
Paper
C12 H16 Er O14.5 P4P 1 21/c 19.1557; 23.753; 10.379
90; 115.261; 90
2041.3Mendes, Ricardo F.; Firmino, Ana D. G.; Tomé, João P. C.; Almeida Paz, Filipe A.
Metal‒organic framework assembled from erbium and a tetrapodal polyphosphonic acid organic linker
Acta Crystallographica Section C, 2018, 74
2021142 CIF
HKL
Paper
C80 H96 Na O10 ScP -112.6071; 14.764; 18.585
84.507; 88.508; 84.033
3424.3Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.
Scandium complexes with the tetraphenylethylene and anthracene dianions
Acta Crystallographica Section C, 2018, 74, 769-781
2021143 CIF
HKL
Paper
C17 H14P 1 21/n 17.3278; 5.944; 26.6551
90; 94.352; 90
1157.65Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.
Scandium complexes with the tetraphenylethylene and anthracene dianions
Acta Crystallographica Section C, 2018, 74, 769-781
2021144 CIF
HKL
Paper
C50.5 H45 O ScC 1 2/c 136.06; 9.5557; 23.662
90; 113.84; 90
7457.7Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.
Scandium complexes with the tetraphenylethylene and anthracene dianions
Acta Crystallographica Section C, 2018, 74, 769-781
2021145 CIF
HKL
Paper
C96 H96 K2 O5 Sc2I b a m18.1056; 19.9164; 21.8633
90; 90; 90
7883.9Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.
Scandium complexes with the tetraphenylethylene and anthracene dianions
Acta Crystallographica Section C, 2018, 74, 769-781
2021146 CIF
HKL
Paper
C42 H32 N12 O12P -111.4603; 11.6052; 16.3587
92.862; 105.149; 97.497
2074.1Breton, Gary W.; Martin, Kenneth L.
Unanticipated formation of a novel octaazacyclodecane ring upon oxidation of a 1,1-bis-urazole
Acta Crystallographica Section C, 2018, 74, 558-563
2021147 CIF
HKL
Paper
C12 H15 N O5P c c n26.571; 6.9074; 13.5152
90; 90; 90
2480.5Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.
Pharmaceutical salts of emoxypine with dicarboxylic acids
Acta Crystallographica Section C, 2018, 74
2021148 CIF
HKL
Paper
C11 H15 N O5P -18.9211; 10.5301; 13.7175
80.0535; 86.3313; 66.5117
1164.07Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.
Pharmaceutical salts of emoxypine with dicarboxylic acids
Acta Crystallographica Section C, 2018, 74
2021149 CIF
HKL
Paper
C14 H21 N O5P -18.7831; 8.9442; 9.6114
77.301; 76.142; 85.677
714.9Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.
Pharmaceutical salts of emoxypine with dicarboxylic acids
Acta Crystallographica Section C, 2018, 74
2021150 CIF
HKL
Paper
C8 H10 Cd I2 N6 O2P -17.2911; 8.1724; 12.5766
89.109; 74.2345; 87.4815
720.49Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan
Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine
Acta Crystallographica Section C, 2018, 74
2021151 CIF
HKL
Paper
C8 H10 Cd N8 O8P 1 21/c 112.9213; 8.5142; 13.6486
90; 104.259; 90
1455.29Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan
Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine
Acta Crystallographica Section C, 2018, 74
2021152 CIF
HKL
Paper
C8 H10 Br2 F2 N6 O3 ZnP -18.0586; 10.1383; 10.1842
89.6438; 68.0189; 67.7878
705.39Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan
Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine
Acta Crystallographica Section C, 2018, 74
2021153 CIF
HKL
Paper
C14 H9 Cl N2 O2 SP 1 21/n 115.5215; 4.1954; 20.4883
90; 93.139; 90
1332.2Joy, Monu; Anabha, E. R.; Gopi, Subash P.; Mathew, Bijo; Kumar S, Ajeesh; Mathews, Annie
Structural and optical profile of a multifunctionalized 2-pyridone derivative in a crystal engineering perspective
Acta Crystallographica Section C, 2018, 74
2021154 CIF
HKL
Paper
C13 H17.66667 N O2.33333P -18.5101; 15.023; 15.821
68.242; 80.424; 89.491
1849.3Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka
Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021155 CIF
HKL
Paper
C13 H17 N O2P 1 21/c 15.992; 14.451; 14.346
90; 104.178; 90
1204.39Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka
Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021156 CIF
HKL
Paper
C14 H19 N O2P 1 21/c 110.6921; 21.1761; 11.8518
90; 94.198; 90
2676.25Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka
Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021157 CIF
HKL
Paper
C14 H12 O4 SC 1 2/c 123.7755; 8.3718; 16.3235
90; 124.106; 90
2690.3Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio
A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates
Acta Crystallographica Section C, 2018, 74
2021158 CIF
HKL
Paper
C13 H9 Cl O4 SP 1 21/c 113.7066; 12.9371; 7.431
90; 91.565; 90
1317.2Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio
A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates
Acta Crystallographica Section C, 2018, 74
2021159 CIF
HKL
Paper
C13 H9 Br O4 SP -17.8282; 8.5963; 10.1139
91.249; 102.818; 95.938
659.38Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio
A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates
Acta Crystallographica Section C, 2018, 74
2021160 CIF
HKL
Paper
C13 H9 Cl O4 SP 1 21/c 110.467; 11.9547; 10.6575
90; 98.045; 90
1320.45Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio
A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates
Acta Crystallographica Section C, 2018, 74
2021161 CIF
HKL
Paper
C13 H9 Br O4 SP -16.8248; 7.2849; 15.1587
79.746; 83.57; 65.091
672.06Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio
A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates
Acta Crystallographica Section C, 2018, 74
2021162 CIF
HKL
Paper
C23 H26 O4P 1 21/c 112.251; 14.971; 10.868
90; 95.289; 90
1984.8Purushothaman, Gayathri; Thiruvenkatam, Vijay
Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives
Acta Crystallographica Section C, 2018, 74
2021163 CIF
HKL
Paper
C24 H27 Br O4P b c a20.6531; 9.5629; 22.4489
90; 90; 90
4433.7Purushothaman, Gayathri; Thiruvenkatam, Vijay
Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives
Acta Crystallographica Section C, 2018, 74
2021164 CIF
HKL
Paper
C22 H25 N O3P -19.2893; 10.0558; 22.911
83.057; 85.272; 64.888
1922.5Purushothaman, Gayathri; Thiruvenkatam, Vijay
Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives
Acta Crystallographica Section C, 2018, 74
2021165 CIF
HKL
Paper
C19 H16 F I N2 O4P 1 21/c 19.1241; 20.098; 10.7456
90; 110.224; 90
1849Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid
Acta Crystallographica Section C, 2018, 74
2021166 CIF
HKL
Paper
C19 H16 Cl I N2 O4P 1 21/c 111.703; 22.037; 7.4073
90; 92.888; 90
1907.9Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid
Acta Crystallographica Section C, 2018, 74
2021167 CIF
HKL
Paper
C19 H17 I N2 O4P 1 21/c 18.837; 20.056; 11.015
90; 110.18; 90
1832.4Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid
Acta Crystallographica Section C, 2018, 74
2021168 CIF
HKL
Paper
C15 H24 N O4P 1 21/n 111.5982; 8.8651; 15.2964
90; 103.581; 90
1528.79Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.
Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives
Acta Crystallographica Section C, 2018, 74
2021169 CIF
HKL
Paper
C30 H48 N2 O8P 1 21 111.1942; 8.6142; 31.6661
90; 93.082; 90
3049.12Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.
Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives
Acta Crystallographica Section C, 2018, 74
2021170 CIF
HKL
Paper
C24 H26 Cl F6 N2 O4 P RuP 1 21/c 17.5508; 23.0248; 15.8985
90; 102.081; 90
2702.83Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef
Concomitant polymorphism in an organometallic ruthenium(II) complex with an <i>N</i>,<i>N</i>'-donor ligand
Acta Crystallographica Section C, 2018, 74, 683-689
2021171 CIF
HKL
Paper
C24 H26 Cl F6 N2 O4 P RuP 1 21/n 111.4706; 16.97; 13.9242
90; 99.55; 90
2672.87Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef
Concomitant polymorphism in an organometallic ruthenium(II) complex with an <i>N</i>,<i>N</i>'-donor ligand
Acta Crystallographica Section C, 2018, 74, 683-689
2021172 CIF
HKL
Paper
C20 H26 O6P 21 21 216.6712; 11.9999; 22.2073
90; 90; 90
1777.78Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.
Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021173 CIF
HKL
Paper
C20 H32 O7P 21 21 211.7555; 20.224; 8.0385
90; 90; 90
1911.1Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.
Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021174 CIF
HKL
Paper
C24 H16 Cd N2 O8C 1 2/c 110.392; 12.459; 15.726
90; 94.25; 90
2030.5Zhou, Qian-Kun; Wang, Lin; Liu, Dong
Construction of a three-dimensional supramolecular framework based on an anionic cadmium(II) coordination network and protonated dipyridine organic cations
Acta Crystallographica Section C, 2018, 74
2021175 CIF
HKL
Paper
C21 H17 Cd N3 O4P -19.1432; 10.439; 10.872
73.04; 83.23; 78.38
970.3Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya
Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand
Acta Crystallographica Section C, 2018, 74
2021176 CIF
HKL
Paper
C20 H15 Cd N3 O5P b c a12.387; 14.684; 20.016
90; 90; 90
3640.7Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya
Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand
Acta Crystallographica Section C, 2018, 74
2021178 CIF
Paper
C9 H7 Br0.43 Cl0.57 O2P 1 21/a 112.3957; 4.9381; 14.2102
90; 94.871; 90
866.68Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.
Polymorphic phase transformations of 3-chloro-<i>trans</i>-cinnamic acid and its solid solution with 3-bromo-<i>trans</i>-cinnamic acid
Acta Crystallographica Section C, 2018, 74
2021179 CIF
HKL
Paper
C9 H7 Br0.49 Cl0.51 O2C 1 2/c 119.054; 3.9451; 24.661
90; 111.81; 90
1721.1Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.
Polymorphic phase transformations of 3-chloro-<i>trans</i>-cinnamic acid and its solid solution with 3-bromo-<i>trans</i>-cinnamic acid
Acta Crystallographica Section C, 2018, 74
2021180 CIF
HKL
Paper
C20 H20 N3 O3 P SP 1 21 116.4417; 5.1623; 23.7712
90; 107.43; 90
1924.99Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.
Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate
Acta Crystallographica Section C, 2018, 74
2021181 CIF
HKL
Paper
C18 H25 N2 O4 P SP -19.6275; 10.0903; 11.8585
65.779; 67.462; 74.329
961.59Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.
Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate
Acta Crystallographica Section C, 2018, 74
2021182 CIF
HKL
Paper
C18 H30 Cu F5 N6 Nb OP 1 21/c 19.3311; 13.2097; 19.9741
90; 93.275; 90
2458.01Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V.
Making an order: the concerted alignment of [<i>M</i>OF~5~]^2{-^} (<i>M</i> = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1<i>H</i>-pyrazole)copper(II)
Acta Crystallographica Section C, 2018, 74
2021183 CIF
HKL
Paper
C18 H30 Cu F5 N6 O TaP 1 21/c 19.3367; 13.1541; 20.0036
90; 93.232; 90
2452.85Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V.
Making an order: the concerted alignment of [<i>M</i>OF~5~]^2{-^} (<i>M</i> = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1<i>H</i>-pyrazole)copper(II)
Acta Crystallographica Section C, 2018, 74
2021184 CIF
HKL
Paper
C45.042 H52.17 Cl2 F2 N8 O7P -17.337; 10.991; 27.078
98.241; 91.151; 91.244
2159.9Angira, Deekshi; Shaik, Althaf; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay
Exploring a solvated dimer of Gefitinib: a quantitative analysis
Acta Crystallographica Section C, 2018, 74
2021185 CIF
HKL
Paper
Cs H12 Mn O10 PP 63 m c6.9809; 6.9809; 12.027
90; 90; 120
507.59Kiriukhina, Galina V.; Yakubovich, Olga V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.
A first Mn member in the struvite morphotropic series, CsMn(H~2~O)~6~(PO~4~): hydrothermal synthesis, crystal structure and interconnections within the family of related phosphates
Acta Crystallographica Section C, 2018, 74
2021186 CIF
HKL
Paper
C18 H20 Br3 Cd N5 O9P 1 21/c 17.9226; 19.1965; 17.2011
90; 102.46; 90
2554.4Zhang, Chong; Zhang, Kou-Lin
Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands
Acta Crystallographica Section C, 2018, 74
2021187 CIF
HKL
Paper
C21 H30 Br3 Cd N5 O12P 1 21/c 117.7463; 8.6866; 21.9891
90; 116.41; 90
3036Zhang, Chong; Zhang, Kou-Lin
Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands
Acta Crystallographica Section C, 2018, 74

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