Information card for entry 2214335

Structure parameters

• Common name: Methanesulfon-3,4-dimethylanilide
• Chemical name: N-(3,4-Dimethylphenyl)methanesulfonamide
• Formula: C9 H13 N O2 S
• Calculated formula: C9 H13 N O2 S
• SMILES: CS(=O)(=O)Nc1cc(c(cc1)C)C
• Title of publication: <i>N</i>-(3,4-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: o3085 - o3085
• a: 8.258 ± 0.009 Å
• b: 5.847 ± 0.009 Å
• c: 10.414 ± 0.009 Å
• α: 90°
• β: 97.7 ± 0.08°
• γ: 90°
• Cell volume: 498.3 ± 1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes