Information card for entry 2231410

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• Formula: C16 H19 N O2 S
• Calculated formula: C16 H19 N O2 S
• SMILES: c1(c(cc(cc1)C)C)S(=O)(=O)Nc1c(cccc1C)C
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• Authors of publication: Nirmala, P. G.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2258
• a: 11.119 ± 0.002 Å
• b: 8.312 ± 0.001 Å
• c: 16.043 ± 0.002 Å
• α: 90°
• β: 97.27 ± 0.01°
• γ: 90°
• Cell volume: 1470.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes