Information card for entry 2223575

Structure parameters

• Chemical name: <i>N</i>-Benzoylbenzenesulfonamide
• Formula: C13 H11 N O3 S
• Calculated formula: C13 H11 N O3 S
• SMILES: c1(ccccc1)S(=O)(=O)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-Benzoylbenzenesulfonamide
• 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: 10
• Pages of publication: o2516
• a: 5.8396 ± 0.0007 Å
• b: 10.178 ± 0.001 Å
• c: 10.405 ± 0.001 Å
• α: 90.187 ± 0.008°
• β: 99.074 ± 0.009°
• γ: 99.617 ± 0.009°
• Cell volume: 601.83 ± 0.11 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes