Information card for entry 2231018

Structure parameters

• Chemical name: <i>N</i>-(3-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)Nc1cc(ccc1)Cl
• Title of publication: <i>N</i>-(3-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: o2178
• a: 9.0385 ± 0.0007 Å
• b: 9.783 ± 0.0007 Å
• c: 15.897 ± 0.001 Å
• α: 90°
• β: 97.284 ± 0.007°
• γ: 90°
• Cell volume: 1394.33 ± 0.17 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: 0.0433
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes