Information card for entry 2231588

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(4-chlorobenzenesulfonamide)
• Chemical name: 4-chloro-<i>N</i>-[2-(4-chlorobenzenesulfonamido)ethyl]benzenesulfonamide
• Formula: C14 H14 Cl2 N2 O4 S2
• Calculated formula: C14 H14 Cl2 N2 O4 S2
• SMILES: Clc1ccc(cc1)S(=O)(=O)NCCNS(=O)(=O)c1ccc(cc1)Cl
• Title of publication: <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(4-chlorobenzenesulfonamide)
• Authors of publication: Al-Dajani, Mohammad T. M.; Wahab, Habibah A.; Shamsuddin, Shaharum; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2241
• a: 13.264 ± 0.0005 Å
• b: 5.339 ± 0.0002 Å
• c: 13.1792 ± 0.0005 Å
• α: 90°
• β: 110.27 ± 0.001°
• γ: 90°
• Cell volume: 875.51 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1754
• 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