Information card for entry 1520465

Structure parameters

• Chemical name: N-[4-(trifluoromethoxy)phenyl]acetamide
• Formula: C9 H8 F3 N O2
• Calculated formula: C9 H8 F3 N O2
• SMILES: FC(F)(F)Oc1ccc(NC(=O)C)cc1
• Title of publication: N-[4-(trifluoromethoxy)phenyl]acetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2010
• Pages of publication: 1400
• a: 4.4884 ± 0.0005 Å
• b: 22.168 ± 0.003 Å
• c: 9.5284 ± 0.0013 Å
• α: 90°
• β: 90.048 ± 0.007°
• γ: 90°
• Cell volume: 948.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No