Information card for entry 2219951

Structure parameters

• Chemical name: <i>N</i>-(3,5-Dichlorophenyl)benzenesulfonamide
• Formula: C12 H9 Cl2 N O2 S
• Calculated formula: C12 H9 Cl2 N O2 S
• SMILES: c1(ccccc1)S(=O)(=O)Nc1cc(cc(c1)Cl)Cl
• Title of publication: <i>N</i>-(3,5-Dichlorophenyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Babitha, K. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2190
• a: 8.299 ± 0.002 Å
• b: 7.215 ± 0.001 Å
• c: 21.954 ± 0.003 Å
• α: 90°
• β: 99.49 ± 0.01°
• γ: 90°
• Cell volume: 1296.6 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes