Information card for entry 7210762

Structure parameters

• Formula: C8 H8 F N O
• Calculated formula: C8 H8 F N O
• Title of publication: Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
• Authors of publication: Panini, Piyush; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3711
• a: 7.4896 ± 0.001 Å
• b: 9.7758 ± 0.0013 Å
• c: 10.3578 ± 0.0013 Å
• α: 88.856 ± 0.006°
• β: 85.667 ± 0.006°
• γ: 75.912 ± 0.007°
• Cell volume: 733.45 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No