Information card for entry 2213476

Structure parameters

• Common name: Methanesulfon-4-fluoroanilide
• Chemical name: <i>N</i>-(4-Fluorophenyl)methanesulfonamide
• Formula: C7 H8 F N O2 S
• Calculated formula: C7 H8 F N O2 S
• SMILES: CS(=O)(=O)Nc1ccc(cc1)F
• Title of publication: <i>N</i>-(4-Fluorophenyl)methanesulfonamide
• Authors of publication: B. Thimme Gowda; Sabine Foro; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2570 - o2570
• a: 17.272 ± 0.003 Å
• b: 5.059 ± 0.001 Å
• c: 10.14 ± 0.002 Å
• α: 90°
• β: 101.65 ± 0.01°
• γ: 90°
• Cell volume: 867.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.1137
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2477
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes