Information card for entry 2238176

Structure parameters

• Chemical name: <i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide
• Formula: C13 H9 Cl N2 O5 S
• Calculated formula: C13 H9 Cl N2 O5 S
• SMILES: Clc1c(cccc1)S(=O)(=O)NC(=O)c1cc(N(=O)=O)ccc1
• Title of publication: <i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide
• Authors of publication: Sreenivasa, S.; Darshan, D.; Lohith, T. N.; Mamatha, G. R.; Palakshamurthy, B. S.; Suchetan, P. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1090
• a: 12.29 ± 0.008 Å
• b: 13.548 ± 0.009 Å
• c: 17.24 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2871 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes