Information card for entry 1545557

Structure parameters

• Chemical name: 3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Formula: C13 H11 Cl2 N O2 S
• Calculated formula: C13 H11 Cl2 N O2 S
• SMILES: Clc1cc(Cl)cc(S(=O)(=O)Nc2ccc(C)cc2)c1
• Title of publication: 3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Authors of publication: Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170375
• a: 6.1673 ± 0.0003 Å
• b: 13.0059 ± 0.0007 Å
• c: 17.6433 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1415.19 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes