Information card for entry 2218180

Structure parameters

• Common name: 4'-Flouro-2'-hydroxyacetophenone
• Chemical name: 4-fluoro-2-hydroxybenzaldehyde
• Formula: C8 H7 F O2
• Calculated formula: C8 H7 F O2
• SMILES: Fc1cc(O)c(cc1)C(=O)C
• Title of publication: 4'-Fluoro-2'-hydroxyacetophenone
• Authors of publication: Rizal, Mohd. Razali; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o916
• a: 3.7978 ± 0.0001 Å
• b: 14.2421 ± 0.0003 Å
• c: 13.0092 ± 0.0003 Å
• α: 90°
• β: 91.884 ± 0.002°
• γ: 90°
• Cell volume: 703.27 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes