Information card for entry 2021880

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 high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
• Authors of publication: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 77
• a: 26.605 ± 0.002 Å
• b: 4.6688 ± 0.0002 Å
• c: 8.5711 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1064.65 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 25000000 kPa
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No