Information card for entry 2219299

Structure parameters

• Chemical name: <i>N</i>-(3-Chlorophenyl)benzenesulfonamide
• Formula: C12 H10 Cl N O2 S
• Calculated formula: C12 H10 Cl N O2 S
• SMILES: c1(ccccc1)S(=O)(=O)Nc1cc(ccc1)Cl
• Title of publication: <i>N</i>-(3-Chlorophenyl)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: 9
• Pages of publication: o1825
• a: 8.8357 ± 0.0007 Å
• b: 8.8357 ± 0.0007 Å
• c: 32.081 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2504.6 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes