Information card for entry 2226006

Structure parameters

• Chemical name: <i>N</i>-(2,6-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(cccc1C)C
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-4-methylbenzenesulfonamide
• Authors of publication: Nirmala, P. G.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1168
• a: 5.1412 ± 0.0005 Å
• b: 17.31 ± 0.002 Å
• c: 16.429 ± 0.002 Å
• α: 90°
• β: 96.65 ± 0.01°
• γ: 90°
• Cell volume: 1452.2 ± 0.3 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: 0.0548
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes