Information card for entry 2213174

Structure parameters

• Common name: Methanesulfon-3-methylanilide
• Chemical name: N-(3-Methylphenyl)methanesulfonamide
• Formula: C8 H11 N O2 S
• Calculated formula: C8 H11 N O2 S
• SMILES: CS(=O)(=O)Nc1cc(ccc1)C
• Title of publication: <i>N</i>-(3-Methylphenyl)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: o2338 - o2338
• a: 23.218 ± 0.002 Å
• b: 8.4933 ± 0.0007 Å
• c: 9.2561 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1825.3 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes