Information card for entry 2211946

Structure parameters

• Chemical name: 2-Amino-4-(4-methoxyphenyl)-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile
• Formula: C19 H19 N5 O
• Calculated formula: C19 H19 N5 O
• SMILES: C1CCCCN1c1c(c(c(c(n1)N)C#N)c1ccc(cc1)OC)C#N
• Title of publication: 2-Amino-4-(4-methoxyphenyl)-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile
• Authors of publication: Jun Shao; Ya-Zhou Wang; Yuan-Xiang Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o163 - o164
• a: 9.443 ± 0.0007 Å
• b: 7.5675 ± 0.0006 Å
• c: 12.5714 ± 0.0009 Å
• α: 90°
• β: 112.06°
• γ: 90°
• Cell volume: 832.58 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes