Information card for entry 2221113

Structure parameters

• Chemical name: 4-[5-(4-Fluorophenyl)-1<i>H</i>-imidazol-4-yl]pyridine
• Formula: C14 H10 F N3
• Calculated formula: C14 H10 F N3
• SMILES: Fc1ccc(c2[nH]cnc2c2ccncc2)cc1
• Title of publication: 4-[5-(4-Fluorophenyl)-1<i>H</i>-imidazol-4-yl]pyridine
• Authors of publication: Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o573
• a: 9.217 ± 0.002 Å
• b: 8.1064 ± 0.0005 Å
• c: 30.665 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2291.2 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes