Information card for entry 2213475

Structure parameters

• Common name: Methanesulfon-3-chloroanilide
• Chemical name: <i>N</i>-(3-Chlorophenyl)methanesulfonamide
• Formula: C7 H8 Cl N O2 S
• Calculated formula: C7 H8 Cl N O2 S
• SMILES: Clc1cc(NS(=O)(=O)C)ccc1
• Title of publication: <i>N</i>-(3-Chlorophenyl)methanesulfonamide
• Authors of publication: B. Thimme Gowda; Sabine Foro; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2569 - o2569
• a: 23.488 ± 0.007 Å
• b: 8.523 ± 0.002 Å
• c: 9.216 ± 0.002 Å
• α: 90°
• β: 107.05 ± 0.02°
• γ: 90°
• Cell volume: 1763.8 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes