Information card for entry 1520251

Structure parameters

• Chemical name: N-[4-(trifluoromethyl)phenyl]acetamide
• Formula: C9 H8 F3 N O
• Calculated formula: C9 H8 F3 N O
• SMILES: FC(F)(F)c1ccc(NC(=O)C)cc1
• Title of publication: N-[4-(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: 1384
• a: 9.663 ± 0.0003 Å
• b: 9.2888 ± 0.0002 Å
• c: 19.8221 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1779.19 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No