Information card for entry 2214102

Structure parameters

• Common name: Methanesulfon-3,5-dimethylanilide
• Chemical name: <i>N</i>-(3,5-Dimethylphenyl)methanesulfonamide
• Formula: C9 H13 N O2 S
• Calculated formula: C9 H13 N O2 S
• SMILES: CS(=O)(=O)Nc1cc(cc(c1)C)C
• Title of publication: <i>N</i>-(3,5-Dimethylphenyl)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: 7
• Pages of publication: o3325 - o3325
• a: 16.273 ± 0.002 Å
• b: 5.1208 ± 0.0007 Å
• c: 12.105 ± 0.001 Å
• α: 90°
• β: 97.84 ± 0.01°
• γ: 90°
• Cell volume: 999.3 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes