Information card for entry 2225785

Structure parameters

• Chemical name: <i>N</i>-(3,4-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• Formula: C16 H19 N O2 S
• Calculated formula: C16 H19 N O2 S
• SMILES: S(=O)(=O)(Nc1cc(c(cc1)C)C)c1c(cc(cc1)C)C
• Title of publication: <i>N</i>-(3,4-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• 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: 5
• Pages of publication: o1150
• a: 9.732 ± 0.001 Å
• b: 15.045 ± 0.002 Å
• c: 10.425 ± 0.001 Å
• α: 90°
• β: 100.1 ± 0.01°
• γ: 90°
• Cell volume: 1502.8 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2418
• Weighted residual factors for all reflections included in the refinement: 0.3378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.594
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes