Information card for entry 2224564

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dimethylphenyl)-4-methylbenzenesulfonamide
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: S(=O)(=O)(Nc1cc(cc(c1)C)C)c1ccc(cc1)C
• Title of publication: <i>N</i>-(3,5-Dimethylphenyl)-4-methylbenzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o144
• a: 8.311 ± 0.001 Å
• b: 8.521 ± 0.001 Å
• c: 11.412 ± 0.001 Å
• α: 99.86 ± 0.01°
• β: 97.62 ± 0.01°
• γ: 108.14 ± 0.01°
• Cell volume: 741.6 ± 0.15 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: 0.0486
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes