Information card for entry 2234539

Structure parameters

• Chemical name: <i>N</i>-(3-Nitrobenzoyl)benzenesulfonamide
• Formula: C13 H10 N2 O5 S
• Calculated formula: C13 H10 N2 O5 S
• SMILES: c1(ccccc1)S(=O)(=O)NC(=O)c1cc(ccc1)N(=O)=O
• Title of publication: <i>N</i>-(3-Nitrobenzoyl)benzenesulfonamide
• 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: 5
• Pages of publication: o1507
• a: 5.1053 ± 0.0005 Å
• b: 13.078 ± 0.001 Å
• c: 20.163 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1346.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0931
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes