Information card for entry 1520182

Structure parameters

• Chemical name: N-(3-fluorophenyl)acetamide
• Formula: C8 H8 F N O
• Calculated formula: C8 H8 F N O
• SMILES: c1(cc(ccc1)F)NC(=O)C
• Title of publication: N-(3-fluorophenyl)acetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 1373
• a: 12.1766 ± 0.0004 Å
• b: 9.5024 ± 0.0003 Å
• c: 12.9638 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No