Information card for entry 7243713

Structure parameters

• Common name: clopamide copper(II)
• Chemical name: trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)
• Formula: C28 H38 Cl2 Cu N6 O6 S2
• Calculated formula: C28 H38 Cl2 Cu N6 O6 S2
• SMILES: [Cu]12(OC(=N[N]31[C@H](CCC[C@H]3C)C)c1cc(S(=O)(=O)N)c(Cl)cc1)OC(=N[N]12[C@@H](CCC[C@@H]1C)C)c1cc(S(=O)(=O)N)c(Cl)cc1
• Title of publication: Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals
• Authors of publication: Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 7425 - 7441
• a: 7.8247 ± 0.0014 Å
• b: 13.829 ± 0.002 Å
• c: 15.156 ± 0.003 Å
• α: 78.981 ± 0.004°
• β: 81.309 ± 0.004°
• γ: 85.041 ± 0.004°
• Cell volume: 1588.5 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2417
• Residual factor for significantly intense reflections: 0.1496
• Weighted residual factors for significantly intense reflections: 0.3058
• Weighted residual factors for all reflections included in the refinement: 0.3567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No