Information card for entry 2218309

Structure parameters

• Chemical name: <i>N</i>-(3,4-Difluorophenyl)-3,4-dimethoxybenzenesulfonamide
• Formula: C14 H13 F2 N O4 S
• Calculated formula: C14 H13 F2 N O4 S
• SMILES: Fc1cc(ccc1F)NS(=O)(=O)c1cc(c(cc1)OC)OC
• Title of publication: <i>N</i>-(3,4-Difluorophenyl)-3,4-dimethoxybenzenesulfonamide
• Authors of publication: You, Hyon Pil; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun; Kang, Sang Ook
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o994
• a: 12.2886 ± 0.001 Å
• b: 8.5662 ± 0.0007 Å
• c: 14.5546 ± 0.0012 Å
• α: 90°
• β: 109.655 ± 0.002°
• γ: 90°
• Cell volume: 1442.8 ± 0.2 ų
• Cell temperature: 295 ± 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 significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes