Information card for entry 2234058

Structure parameters

• Chemical name: <i>N</i>-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide
• Formula: C14 H12 N2 O5 S
• Calculated formula: C14 H12 N2 O5 S
• SMILES: c1(ccc(cc1)N(=O)=O)S(=O)(=O)NC(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide
• Authors of publication: Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o888
• a: 13.969 ± 0.001 Å
• b: 9.6591 ± 0.0006 Å
• c: 21.026 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2837 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1074
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes