Information card for entry 2228897

Structure parameters

• Chemical name: 2-Amino-4-(4-fluorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile
• Formula: C22 H14 F N3
• Calculated formula: C22 H14 F N3
• SMILES: Fc1ccc(cc1)c1c(c(nc(c1)c1c2ccccc2ccc1)N)C#N
• Title of publication: 2-Amino-4-(4-fluorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile
• Authors of publication: Wang, Jian-Qiang; Tang, Shi-Gui; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o56
• a: 14.531 ± 0.003 Å
• b: 8.09 ± 0.0016 Å
• c: 15.516 ± 0.003 Å
• α: 90°
• β: 110.04 ± 0.03°
• γ: 90°
• Cell volume: 1713.6 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes