Information card for entry 2224472

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• Formula: C16 H19 N O2 S
• Calculated formula: C16 H19 N O2 S
• SMILES: S(=O)(=O)(Nc1cc(cc(c1)C)C)c1c(cc(cc1)C)C
• Title of publication: <i>N</i>-(3,5-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: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3275
• a: 23.49 ± 0.002 Å
• b: 8.1528 ± 0.0006 Å
• c: 16.544 ± 0.001 Å
• α: 90°
• β: 102.69 ± 0.008°
• γ: 90°
• Cell volume: 3090.9 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes