Information card for entry 2235257

Structure parameters

• Chemical name: <i>N</i>-[4-(4-Chlorobenzenesulfonamido)phenylsulfonyl]acetamide
• Formula: C14 H13 Cl N2 O5 S2
• Calculated formula: C14 H13 Cl N2 O5 S2
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)C
• Title of publication: <i>N</i>-[4-(4-Chlorobenzenesulfonamido)phenylsulfonyl]acetamide
• Authors of publication: Khan, Islam Ullah; Ejaz; Farid, Sidra; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1913
• a: 9.7452 ± 0.0002 Å
• b: 9.9905 ± 0.0002 Å
• c: 17.3968 ± 0.0003 Å
• α: 90°
• β: 99.87 ± 0.001°
• γ: 90°
• Cell volume: 1668.67 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes