Information card for entry 2228526

Structure parameters

• Common name: 2-amino-4-(3-fluorophenyl)-6-(naphthalen-1-yl)nicotinonitrile
• Chemical name: 2-Amino-4-(3-fluorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile
• Formula: C22 H14 F N3
• Calculated formula: C22 H14 F N3
• SMILES: N#Cc1c(N)nc(cc1c1cccc(c1)F)c1cccc2c1cccc2
• Title of publication: 2-Amino-4-(3-fluorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile
• Authors of publication: Xu, Jia-Ying; Gao, Zhao-Chang; Sun, Kai-Jin; Cheng, Wei-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3291
• a: 11.75 ± 0.002 Å
• b: 12.703 ± 0.003 Å
• c: 13.457 ± 0.003 Å
• α: 73.33 ± 0.03°
• β: 86.82 ± 0.03°
• γ: 63.98 ± 0.03°
• Cell volume: 1723.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1611
• 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