Information card for entry 2223971

Structure parameters

• Chemical name: <i>N</i>-(3-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)c1cc(ccc1)Cl
• Title of publication: <i>N</i>-(3-Chlorobenzoyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2750
• a: 21.309 ± 0.002 Å
• b: 6.0953 ± 0.0007 Å
• c: 20.367 ± 0.002 Å
• α: 90°
• β: 92.48 ± 0.01°
• γ: 90°
• Cell volume: 2642.9 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes