Information card for entry 2231022

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-2,4-dimethylbenzenesulfonamide
• Formula: C14 H14 Cl N O2 S
• Calculated formula: C14 H14 Cl N O2 S
• SMILES: c1(c(cc(cc1)C)C)S(=O)(=O)Nc1ccc(cc1)Cl
• Title of publication: <i>N</i>-(4-Chlorophenyl)-2,4-dimethylbenzenesulfonamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2160
• a: 9.1093 ± 0.0008 Å
• b: 9.9106 ± 0.0009 Å
• c: 16.142 ± 0.001 Å
• α: 90°
• β: 96.505 ± 0.009°
• γ: 90°
• Cell volume: 1447.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes