Information card for entry 2224375

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorobenzoyl)benzenesulfonamide
• Formula: C13 H10 Cl N O3 S
• Calculated formula: C13 H10 Cl N O3 S
• SMILES: c1(ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)Cl
• Title of publication: <i>N</i>-(4-Chlorobenzoyl)benzenesulfonamide
• Authors of publication: Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3156
• a: 5.4176 ± 0.0004 Å
• b: 10.717 ± 0.001 Å
• c: 10.98 ± 0.001 Å
• α: 86.666 ± 0.009°
• β: 83.903 ± 0.009°
• γ: 81.823 ± 0.008°
• Cell volume: 626.85 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes