Information card for entry 2224864

Structure parameters

• Chemical name: <i>N</i>-[4-(<i>p</i>-Toluenesulfonamido)phenylsulfonyl]acetamide
• Formula: C15 H16 N2 O5 S2
• Calculated formula: C15 H16 N2 O5 S2
• SMILES: S(=O)(=O)(Nc1ccc(S(=O)(=O)NC(=O)C)cc1)c1ccc(cc1)C
• Title of publication: <i>N</i>-[4-(<i>p</i>-Toluenesulfonamido)phenylsulfonyl]acetamide
• Authors of publication: Ashfaq, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Ahmad, Hamad; Asghar, Muhammad Nadeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o299
• a: 9.8077 ± 0.0004 Å
• b: 10.0782 ± 0.0004 Å
• c: 17.3081 ± 0.0007 Å
• α: 90°
• β: 100.29 ± 0.002°
• γ: 90°
• Cell volume: 1683.29 ± 0.12 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: 0.0567
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1138
• 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