Information card for entry 2228224

Structure parameters

• Chemical name: <i>N</i>-(2,3-Dimethylphenyl)-4-methylbenzenesulfonamide
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)Nc1c(c(ccc1)C)C
• Title of publication: <i>N</i>-(2,3-Dimethylphenyl)-4-methylbenzenesulfonamide
• Authors of publication: Nirmala, P. G.; Foro, Sabine; Gowda, B. Thimme; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3349
• a: 10.771 ± 0.001 Å
• b: 13.357 ± 0.001 Å
• c: 9.9667 ± 0.0009 Å
• α: 90°
• β: 93.256 ± 0.008°
• γ: 90°
• Cell volume: 1431.6 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes