Information card for entry 2243957

Structure parameters

• Common name: 2-(Perfluorophenyl)acetamide
• Chemical name: 2-(2,3,4,5,6-Pentafluorophenyl)acetamide
• Formula: C8 H4 F5 N O
• Calculated formula: C8 H4 F5 N O
• SMILES: Fc1c(CC(=O)N)c(F)c(F)c(F)c1F
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds
• Authors of publication: Novikov, Anton P.; Bezdomnikov, Alexey A.; Grigoriev, Mikhail S.; German, Konstantin E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• Pages of publication: 80 - 83
• a: 14.4934 ± 0.0005 Å
• b: 5.8247 ± 0.0002 Å
• c: 9.7836 ± 0.0003 Å
• α: 90°
• β: 90.87 ± 0.002°
• γ: 90°
• Cell volume: 825.83 ± 0.05 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes