Information card for entry 2233947

Structure parameters

• Chemical name: <i>N</i>-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide
• Formula: C13 H9 Cl N2 O5 S
• Calculated formula: C13 H9 Cl N2 O5 S
• SMILES: c1(c(cccc1)N(=O)=O)S(=O)(=O)NC(=O)c1cc(ccc1)Cl
• Title of publication: <i>N</i>-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide
• Authors of publication: Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o786
• a: 12.2046 ± 0.0008 Å
• b: 12.6121 ± 0.0009 Å
• c: 18.433 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2837.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1214
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes