Information card for entry 2232609

Structure parameters

• Chemical name: <i>N</i>-Benzoyl-3-nitrobenzenesulfonamide
• Formula: C13 H10 N2 O5 S
• Calculated formula: C13 H10 N2 O5 S
• SMILES: c1(cc(ccc1)N(=O)=O)S(=O)(=O)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-Benzoyl-3-nitrobenzenesulfonamide
• 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: 12
• Pages of publication: o3515
• a: 11.546 ± 0.001 Å
• b: 5.0302 ± 0.0005 Å
• c: 23.387 ± 0.002 Å
• α: 90°
• β: 93.69 ± 0.01°
• γ: 90°
• Cell volume: 1355.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes