Information card for entry 2104626

Structure parameters

• Common name: chlorpropamide, α-form
• Chemical name: 4-chloro-N-((propylaminocarbonyl)benzenesulfonamide
• Formula: C10 H13 Cl N2 O3 S
• Calculated formula: C10 H13 Cl N2 O3 S
• SMILES: c1(ccc(cc1)S(=O)(=O)NC(=O)NCCC)Cl
• Title of publication: A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form
• Authors of publication: Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 770 - 781
• a: 26.657 ± 0.006 Å
• b: 5.0938 ± 0.0016 Å
• c: 8.9941 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1221.3 ± 0.5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes