Information card for entry 2236735

Structure parameters

• Chemical name: <i>N</i>-(2,3-Dimethylphenyl)-4-methyl-<i>N</i>-(4- methylphenylsulfonyl)benzenesulfonamide
• Formula: C22 H23 N O4 S2
• Calculated formula: C22 H23 N O4 S2
• SMILES: c1(c(c(ccc1)C)C)N(S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(2,3-Dimethylphenyl)-4-methyl-<i>N</i>-(4-methylphenylsulfonyl)benzenesulfonamide
• Authors of publication: Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3013
• a: 7.5523 ± 0.0008 Å
• b: 8.4635 ± 0.0009 Å
• c: 17.5004 ± 0.0017 Å
• α: 103.282 ± 0.007°
• β: 91.659 ± 0.007°
• γ: 108.382 ± 0.007°
• Cell volume: 1026.89 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes