Information card for entry 2231065

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide
• Formula: C14 H14 Cl N O2 S
• Calculated formula: C14 H14 Cl N O2 S
• SMILES: Clc1ccc(S(=O)(=O)Nc2cc(cc(c2)C)C)cc1
• Title of publication: 4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide
• 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: o2102
• a: 21.99 ± 0.002 Å
• b: 10.047 ± 0.0008 Å
• c: 26.408 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5834.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.302
• Weighted residual factors for all reflections included in the refinement: 0.3447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes