Information card for entry 2104909

Structure parameters

• Common name: chlorpropamide, β^III^-form
• Chemical name: 4-chloro-N-((propylaminocarbonyl)benzenesulfonamide
• Formula: C10 H13 Cl N2 O3 S
• Calculated formula: C10 H13 Cl N2 O3 S
• SMILES: CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl
• Title of publication: Solid-state transformations in the β-form of chlorpropamide on cooling to 100K
• Authors of publication: Drebushchak, Tatiana N.; Drebushchak, Valeri A.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: 163 - 176
• a: 28.4475 ± 0.0012 Å
• b: 9.2322 ± 0.0003 Å
• c: 19.2298 ± 0.0007 Å
• α: 90°
• β: 95.562 ± 0.004°
• γ: 90°
• Cell volume: 5026.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No