Information card for entry 2239558

Structure parameters

• Chemical name: <i>N</i>-(2-Formylphenyl)-4-methyl-<i>N</i>-[(4-methylphenyl)sulfonyl]benzenesulfonamide
• Formula: C21 H19 N O5 S2
• Calculated formula: C21 H19 N O5 S2
• SMILES: O=Cc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(2-Formylphenyl)-4-methyl-<i>N</i>-[(4-methylphenyl)sulfonyl]benzenesulfonamide
• Authors of publication: Kim, Sung-Gon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o660
• a: 15.5505 ± 0.0006 Å
• b: 7.8816 ± 0.0003 Å
• c: 16.6876 ± 0.0007 Å
• α: 90°
• β: 103.942 ± 0.001°
• γ: 90°
• Cell volume: 1985.03 ± 0.14 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes