Information card for entry 2233107

Structure parameters

• Chemical name: <i>N</i>-(3-Chlorobenzoyl)-3-nitrobenzenesulfonamide
• Formula: C13 H9 Cl N2 O5 S
• Calculated formula: C13 H9 Cl N2 O5 S
• SMILES: Clc1cc(C(=O)NS(=O)(=O)c2cc(N(=O)=O)ccc2)ccc1
• Title of publication: <i>N</i>-(3-Chlorobenzoyl)-3-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: 1
• Pages of publication: o244
• a: 11.891 ± 0.002 Å
• b: 5.0577 ± 0.0006 Å
• c: 23.488 ± 0.003 Å
• α: 90°
• β: 90.43 ± 0.01°
• γ: 90°
• Cell volume: 1412.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1048
• 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