Information card for entry 2236256

Structure parameters

• Chemical name: 5-(5-Bromo-2-methoxyphenyl)-2-fluoropyridine
• Formula: C12 H9 Br F N O
• Calculated formula: C12 H9 Br F N O
• SMILES: Brc1ccc(OC)c(c1)c1ccc(F)nc1
• Title of publication: 5-(5-Bromo-2-methoxyphenyl)-2-fluoropyridine
• Authors of publication: Adeel, Muhammad; Elahi, Fazal; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2654
• a: 3.9376 ± 0.0004 Å
• b: 20.999 ± 0.003 Å
• c: 13.27 ± 0.0015 Å
• α: 90°
• β: 95.035 ± 0.007°
• γ: 90°
• Cell volume: 1093 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes