Information card for entry 2226382

Structure parameters

• Chemical name: <i>N</i>-(4-Methylbenzoyl)benzenesulfonamide
• Formula: C14 H13 N O3 S
• Calculated formula: C14 H13 N O3 S
• SMILES: c1(ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(4-Methylbenzoyl)benzenesulfonamide
• 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: 7
• Pages of publication: o1772
• a: 5.5519 ± 0.0006 Å
• b: 10.541 ± 0.001 Å
• c: 11.105 ± 0.001 Å
• α: 85.654 ± 0.009°
• β: 83.667 ± 0.009°
• γ: 81.949 ± 0.009°
• Cell volume: 638.36 ± 0.11 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes