Information card for entry 2225240

Structure parameters

• Chemical name: <i>N</i>-(2,5-Dichlorophenyl)benzenesulfonamide
• Formula: C12 H9 Cl2 N O2 S
• Calculated formula: C12 H9 Cl2 N O2 S
• SMILES: c1(ccccc1)S(=O)(=O)Nc1c(ccc(c1)Cl)Cl
• Title of publication: <i>N</i>-(2,5-Dichlorophenyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o594
• a: 9.595 ± 0.001 Å
• b: 14.188 ± 0.002 Å
• c: 10.424 ± 0.001 Å
• α: 90°
• β: 114.42 ± 0.02°
• γ: 90°
• Cell volume: 1292.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes