Information card for entry 1545555

Structure parameters

• Chemical name: 3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide
• Formula: C12 H7 Cl4 N O2 S
• Calculated formula: C12 H7 Cl4 N O2 S
• SMILES: c1(cc(cc(c1)Cl)Cl)S(=O)(=O)Nc1c(cc(cc1)Cl)Cl
• Title of publication: 3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide
• Authors of publication: Shakuntala, K.; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170372
• a: 8.1107 ± 0.0004 Å
• b: 8.2615 ± 0.0004 Å
• c: 11.2048 ± 0.0005 Å
• α: 86.791 ± 0.002°
• β: 70.625 ± 0.002°
• γ: 85.783 ± 0.002°
• Cell volume: 705.96 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes