Information card for entry 2235475

Structure parameters

• Chemical name: 4-(2-Fluoropyridin-5-yl)phenol
• Formula: C11 H8 F N O
• Calculated formula: C11 H8 F N O
• SMILES: Fc1ncc(c2ccc(O)cc2)cc1
• Title of publication: 4-(2-Fluoropyridin-5-yl)phenol
• Authors of publication: Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2124
• a: 12.275 ± 0.003 Å
• b: 7.4343 ± 0.0011 Å
• c: 19.328 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1763.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes