Information card for entry 2239165

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
• Formula: C24 H22 N2 O4 S3
• Calculated formula: C24 H22 N2 O4 S3
• SMILES: Cc1ccc(cc1)c1csc(n1)N(S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
• Title of publication: 4-Methyl-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
• Authors of publication: Carballo, Rubén M.; Hernández-Ortega, Simón; Padilla-Montaño, Nayely; Reyes-Martínez, Reyna; Mirón-López, Gumersindo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o6 - o7
• a: 8.3322 ± 0.0002 Å
• b: 12.063 ± 0.0003 Å
• c: 23.5756 ± 0.0006 Å
• α: 84.615 ± 0.001°
• β: 87.022 ± 0.001°
• γ: 85.482 ± 0.001°
• Cell volume: 2349.45 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes