Information card for entry 2236423

Structure parameters

• Chemical name: <i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl] benzenesulfonamide
• Formula: C20 H17 F2 N O4 S2
• Calculated formula: C20 H17 F2 N O4 S2
• SMILES: c1(c(c(ccc1)C)C)N(S(=O)(=O)c1ccc(cc1)F)S(=O)(=O)c1ccc(cc1)F
• Title of publication: <i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl]benzenesulfonamide
• Authors of publication: Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2973
• a: 9.9493 ± 0.0005 Å
• b: 14.7107 ± 0.0008 Å
• c: 26.6871 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3906 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes