Information card for entry 2213474

Structure parameters

• Common name: Methanesulfon-2-methylanilide
• Chemical name: N-(2-Methylphenyl)methanesulfonamide
• Formula: C8 H11 N O2 S
• Calculated formula: C8 H11 N O2 S
• SMILES: CS(=O)(=O)Nc1ccccc1C
• Title of publication: <i>N</i>-(2-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: o2340 - o2340
• a: 5.719 ± 0.001 Å
• b: 9.041 ± 0.001 Å
• c: 9.225 ± 0.002 Å
• α: 79.53 ± 0.01°
• β: 87.36 ± 0.01°
• γ: 74.44 ± 0.01°
• Cell volume: 451.85 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes