Information card for entry 2239394

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-phenylbenzenesulfonamide
• Formula: C20 H19 N O4 S2
• Calculated formula: C20 H19 N O4 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)N(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
• Title of publication: 4-Methyl-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-phenylbenzenesulfonamide
• Authors of publication: Eren, Bilge; Demir, Selçuk; Dal, Hakan; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o238 - o239
• a: 18.108 ± 0.0005 Å
• b: 9.3834 ± 0.0003 Å
• c: 11.4821 ± 0.0004 Å
• α: 90°
• β: 96.015 ± 0.003°
• γ: 90°
• Cell volume: 1940.24 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes