Information card for entry 2021882

Structure parameters

• Common name: chlorpropamide, α^II^-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: 25.602 ± 0.003 Å
• b: 4.634 ± 0.0002 Å
• c: 8.8525 ± 0.0004 Å
• α: 99.109 ± 0.004°
• β: 90°
• γ: 90°
• Cell volume: 1037.01 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 29100000 kPa
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 21 1 1
• Hall space group symbol: P 2xa
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No