Information card for entry 7243720

Structure parameters

• Common name: clopamide copper(II) diethanol dihydrate
• Chemical name: trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diethanol solvate dihydrate
• Formula: C32 H54 Cl2 Cu N6 O10 S2
• Calculated formula: C32 H54 Cl2 Cu N6 O10 S2
• 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: 8.2195 ± 0.0007 Å
• b: 8.2439 ± 0.0007 Å
• c: 16.4822 ± 0.0014 Å
• α: 85.598 ± 0.002°
• β: 78.212 ± 0.002°
• γ: 68.273 ± 0.002°
• Cell volume: 1015.62 ± 0.15 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: 0.1175
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No