Information card for entry 2226366

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-(2-chlorophenyl)benzenesulfonamide
• Formula: C12 H8 Cl3 N O2 S
• Calculated formula: C12 H8 Cl3 N O2 S
• SMILES: c1(c(cc(cc1)Cl)Cl)S(=O)(=O)Nc1c(cccc1)Cl
• Title of publication: 2,4-Dichloro-<i>N</i>-(2-chlorophenyl)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: 7
• Pages of publication: o1641
• a: 10.5639 ± 0.0008 Å
• b: 16.279 ± 0.001 Å
• c: 16.693 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2870.7 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes