Information card for entry 2235359

Structure parameters

• Chemical name: 5-(4-Chlorophenyl)-2-fluoropyridine
• Formula: C11 H7 Cl F N
• Calculated formula: C11 H7 Cl F N
• SMILES: c1(ccc(cc1)c1cnc(cc1)F)Cl
• Title of publication: 5-(4-Chlorophenyl)-2-fluoropyridine
• Authors of publication: Adeel, Muhammad; Elahi, Fazal; Tahir, M. Nawaz; Khan, Azim; Langer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2043
• a: 21.1252 ± 0.0014 Å
• b: 3.8763 ± 0.0003 Å
• c: 11.7009 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 958.16 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes