Information card for entry 2242199

Structure parameters

• Chemical name: 3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide
• Formula: C14 H13 Cl2 N O2 S
• Calculated formula: C14 H13 Cl2 N O2 S
• SMILES: c1(cc(cc(c1)Cl)Cl)S(=O)(=O)Nc1cc(cc(c1)C)C
• Title of publication: Crystal structures of isomeric 3,5-dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide
• Authors of publication: Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 673 - 677
• a: 12.2268 ± 0.0006 Å
• b: 7.0399 ± 0.0003 Å
• c: 17.313 ± 0.0008 Å
• α: 90°
• β: 100.409 ± 0.001°
• γ: 90°
• Cell volume: 1465.7 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes