Information card for entry 2235016

Structure parameters

• Chemical name: 2-Amino-4-(2-chlorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile
• Formula: C22 H14 Cl N3
• Calculated formula: C22 H14 Cl N3
• SMILES: Clc1ccccc1c1cc(nc(N)c1C#N)c1c2ccccc2ccc1
• Title of publication: 2-Amino-4-(2-chlorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile
• Authors of publication: Wei, Hong-Xia; Zhu, Jing; Li, Ming; Wang, Jian-qiang; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1839
• a: 12.275 ± 0.003 Å
• b: 4.649 ± 0.0009 Å
• c: 30.887 ± 0.006 Å
• α: 90°
• β: 90.18 ± 0.03°
• γ: 90°
• Cell volume: 1762.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes