Information card for entry 2244070

Structure parameters

• Common name: Bromopropamide
• Chemical name: 4-Bromo-<i>N</i>-(propylcarbamoyl)benzenesulfonamide
• Formula: C10 H13 Br N2 O3 S
• Calculated formula: C10 H13 Br N2 O3 S
• SMILES: Brc1ccc(S(=O)(=O)NC(=O)NCCC)cc1
• Title of publication: Crystal structure of 4-bromo-<i>N</i>-(propylcarbamoyl)benzenesulfonamide
• Authors of publication: Bookwala, Mustafa; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 5
• a: 21.0939 ± 0.0012 Å
• b: 9.252 ± 0.0006 Å
• c: 15.0283 ± 0.001 Å
• α: 90°
• β: 116.211 ± 0.004°
• γ: 90°
• Cell volume: 2631.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes