Information card for entry 2217865

Structure parameters

• Chemical name: <i>N</i>-(2-Benzoyl-4-chlorophenyl)-4-chlorobenzenesulfonamide
• Formula: C19 H13 Cl2 N O3 S
• Calculated formula: C19 H13 Cl2 N O3 S
• SMILES: Clc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)c2ccccc2)c1
• Title of publication: <i>N</i>-(2-Benzoyl-4-chlorophenyl)-4-chlorobenzenesulfonamide
• Authors of publication: Valkonen, Arto; Gawinecki, Ryszard; Janota, Henryk; Ośmiałowski, Borys; Kolehmainen, Erkki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o737
• a: 8.2307 ± 0.0001 Å
• b: 18.5014 ± 0.0003 Å
• c: 12.1364 ± 0.0002 Å
• α: 90°
• β: 105.211 ± 0.001°
• γ: 90°
• Cell volume: 1783.38 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes