Information card for entry 7243712

Structure parameters

• Common name: Clopamide anhydrate
• Chemical name: 4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide
• Formula: C14 H20 Cl N3 O3 S
• Calculated formula: C14 H20 Cl N3 O3 S
• SMILES: Clc1c(S(=O)(=O)N)cc(cc1)C(=O)NN1[C@H](CCC[C@H]1C)C
• 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: 18.7914 ± 0.0004 Å
• b: 9.2921 ± 0.0004 Å
• c: 19.0621 ± 0.0004 Å
• α: 90°
• β: 99.32°
• γ: 90°
• Cell volume: 3284.52 ± 0.17 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No