Information card for entry 2213895

Structure parameters

• Common name: Methanesulfon-2,3-dimethylanilide
• Chemical name: <i>N</i>-(2,3-dimethylphenyl)methanesulfonamide
• Formula: C9 H13 N O2 S
• Calculated formula: C9 H13 N O2 S
• SMILES: S(=O)(=O)(Nc1c(c(ccc1)C)C)C
• Title of publication: <i>N</i>-(2,3-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: 6
• Pages of publication: o3014 - o3014
• a: 5.2259 ± 0.0006 Å
• b: 5.5567 ± 0.0008 Å
• c: 34.056 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 988.94 ± 0.18 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes