Information card for entry 2221730

Structure parameters

• Chemical name: <i>N</i>-Acetyl-4-(benzenesulfonamido)benzenesulfonamide
• Formula: C14 H14 N2 O5 S2
• Calculated formula: C14 H14 N2 O5 S2
• SMILES: S(=O)(=O)(Nc1ccc(S(=O)(=O)NC(=O)C)cc1)c1ccccc1
• Title of publication: <i>N</i>-Acetyl-4-(benzenesulfonamido)benzenesulfonamide
• Authors of publication: Ashfaq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Saeed-ul-Hassan, Syed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1180
• a: 9.9316 ± 0.0009 Å
• b: 9.4828 ± 0.0008 Å
• c: 17.649 ± 0.0017 Å
• α: 90°
• β: 103.169 ± 0.005°
• γ: 90°
• Cell volume: 1618.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1006
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes