Information card for entry 1519878

Structure parameters

• Chemical name: N-[2-(trifluoromethyl)phenyl]acetamide
• Formula: C9 H8 F3 N O
• Calculated formula: C9 H8 F3 N O
• SMILES: c1(c(cccc1)C(F)(F)F)NC(=O)C
• Title of publication: N-[2-(trifluoromethyl)phenyl]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: 1366
• a: 4.7821 ± 0.0004 Å
• b: 13.417 ± 0.0016 Å
• c: 13.9793 ± 0.0015 Å
• α: 90°
• β: 92.527 ± 0.007°
• γ: 90°
• Cell volume: 896.06 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No