Information card for entry 2235755

Structure parameters

• Chemical name: <i>N</i>-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide
• Formula: C14 H12 F N O4 S
• Calculated formula: C14 H12 F N O4 S
• SMILES: Fc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)OCCO2
• Title of publication: <i>N</i>-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide
• Authors of publication: Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Arshad, Muhammad Nadeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2433
• a: 5.1542 ± 0.0005 Å
• b: 22.237 ± 0.003 Å
• c: 12.0706 ± 0.0013 Å
• α: 90°
• β: 94.422 ± 0.003°
• γ: 90°
• Cell volume: 1379.3 ± 0.3 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: 0.0567
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1013
• 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: Yes
• Has Fobs: Yes