Information card for entry 2225533

Structure parameters

• Chemical name: <i>N</i>-Benzoyl-4-chlorobenzenesulfonamide
• Formula: C13 H10 Cl N O3 S
• Calculated formula: C13 H10 Cl N O3 S
• SMILES: Clc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-Benzoyl-4-chlorobenzenesulfonamide
• Authors of publication: Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o766
• a: 9.138 ± 0.001 Å
• b: 12.026 ± 0.002 Å
• c: 12.512 ± 0.002 Å
• α: 91.15 ± 0.01°
• β: 93.53 ± 0.01°
• γ: 107.4 ± 0.02°
• Cell volume: 1308.5 ± 0.4 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: 0.0513
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes