Information card for entry 2214151

Structure parameters

• Common name: Methanesulfon-2,4,6-trimethylanilide
• Chemical name: <i>N</i>-(2,4,6-Trimethylphenyl)methanesulfonamide
• Formula: C10 H15 N O2 S
• Calculated formula: C10 H15 N O2 S
• SMILES: CS(=O)(=O)Nc1c(cc(cc1C)C)C
• Title of publication: <i>N</i>-(2,4,6-Trimethylphenyl)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: o3084 - o3084
• a: 14.588 ± 0.004 Å
• b: 4.92 ± 0.002 Å
• c: 16.386 ± 0.008 Å
• α: 90°
• β: 111.49 ± 0.09°
• γ: 90°
• Cell volume: 1094.3 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes