Information card for entry 8104809

Structure parameters

• Common name: <i>ortho</i>-trifluoromethyl-hexylanilide
• Chemical name: <i>ortho</i>-trifluoromethyl-hexylanilide
• Formula: C13 H16 F3 N O
• Calculated formula: C13 H16 F3 N O
• Title of publication: Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 291 - 292
• a: 4.7889 ± 0.0004 Å
• b: 11.7867 ± 0.001 Å
• c: 12.5323 ± 0.0011 Å
• α: 100.762 ± 0.005°
• β: 100.232 ± 0.004°
• γ: 100.683 ± 0.004°
• Cell volume: 666.19 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No