Information card for entry 2224879

Structure parameters

• Chemical name: <i>N</i>-(3-Methylphenyl)benzenesulfonamide
• Formula: C13 H13 N O2 S
• Calculated formula: C13 H13 N O2 S
• SMILES: Cc1cccc(c1)NS(=O)(=O)c1ccccc1
• Title of publication: <i>N</i>-(3-Methylphenyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o434
• a: 8.787 ± 0.001 Å
• b: 8.884 ± 0.001 Å
• c: 32.406 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2529.7 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes