Information card for entry 2225668

Structure parameters

• Chemical name: <i>N</i>-Benzoyl-2-chlorobenzenesulfonamide
• Formula: C13 H10 Cl N O3 S
• Calculated formula: C13 H10 Cl N O3 S
• SMILES: Clc1c(S(=O)(=O)NC(=O)c2ccccc2)cccc1
• Title of publication: <i>N</i>-Benzoyl-2-chlorobenzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o794
• a: 8.1087 ± 0.0008 Å
• b: 9.3057 ± 0.0009 Å
• c: 9.6592 ± 0.0009 Å
• α: 74.841 ± 0.009°
• β: 65.79 ± 0.008°
• γ: 78.077 ± 0.009°
• Cell volume: 637.52 ± 0.12 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes