Information card for entry 2225775

Structure parameters

• Chemical name: <i>N</i>-Benzoyl-4-methylbenzenesulfonamide
• Formula: C14 H13 N O3 S
• Calculated formula: C14 H13 N O3 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-Benzoyl-4-methylbenzenesulfonamide
• Authors of publication: Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1039
• a: 5.1723 ± 0.0005 Å
• b: 14.785 ± 0.001 Å
• c: 17.431 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1332.99 ± 0.17 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: 0.0397
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes