Information card for entry 2235433

Structure parameters

• Chemical name: 5-(2,3-Dichlorophenyl)-2-fluoropyridine
• Formula: C11 H6 Cl2 F N
• Calculated formula: C11 H6 Cl2 F N
• SMILES: Clc1c(cccc1Cl)c1ccc(F)nc1
• Title of publication: 5-(2,3-Dichlorophenyl)-2-fluoropyridine
• 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: o2180
• a: 3.8889 ± 0.0003 Å
• b: 11.1006 ± 0.0011 Å
• c: 12.0542 ± 0.0011 Å
• α: 101.526 ± 0.005°
• β: 94.93 ± 0.004°
• γ: 92.057 ± 0.005°
• Cell volume: 507.24 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes