Information card for entry 2217895

Structure parameters

• Chemical name: 2-Amino-N-(4-methylphenylsulfonyl)-N-phenylbenzenesulfonamide
• Formula: C19 H18 N2 O4 S2
• Calculated formula: C19 H18 N2 O4 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1c(N)cccc1
• Title of publication: 2-Amino-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-phenylbenzenesulfonamide
• Authors of publication: Song, Zu-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o744
• a: 14.6245 ± 0.0003 Å
• b: 10.0454 ± 0.0002 Å
• c: 13.4735 ± 0.0004 Å
• α: 90°
• β: 107.478 ± 0.002°
• γ: 90°
• Cell volume: 1887.99 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes