Information card for entry 2230295

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide
• Formula: C13 H12 Cl N O2 S
• Calculated formula: C13 H12 Cl N O2 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)Nc1cc(ccc1)C
• Title of publication: 4-Chloro-<i>N</i>-(3-methylphenyl)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: 6
• Pages of publication: o1540
• a: 14.202 ± 0.001 Å
• b: 14.561 ± 0.001 Å
• c: 13.271 ± 0.001 Å
• α: 90°
• β: 97.292 ± 0.009°
• γ: 90°
• Cell volume: 2722.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes