Information card for entry 2229867

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide
• Formula: C14 H12 N2 O5 S
• Calculated formula: C14 H12 N2 O5 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)NC(=O)c1ccc(cc1)N(=O)=O
• Title of publication: 4-Methyl-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide
• Authors of publication: Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o917
• a: 11.722 ± 0.003 Å
• b: 5.137 ± 0.001 Å
• c: 12.488 ± 0.003 Å
• α: 90°
• β: 105.09 ± 0.02°
• γ: 90°
• Cell volume: 726 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes