Information card for entry 2235463

Structure parameters

• Chemical name: 2-Fluoro-5-(4-fluorophenyl)pyridine
• Formula: C11 H7 F2 N
• Calculated formula: C11 H7 F2 N
• SMILES: Fc1ccc(cc1)c1ccc(F)nc1
• Title of publication: 2-Fluoro-5-(4-fluorophenyl)pyridine
• Authors of publication: Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz; Langer, Peter; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2070
• a: 20.365 ± 0.002 Å
• b: 3.8303 ± 0.0003 Å
• c: 11.4835 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 895.76 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes