Information card for entry 2238913

Structure parameters

• Chemical name: 2-Amino-6-(piperidin-1-yl)-4-<i>p</i>-tolylpyridine-3,5-dicarbonitrile
• Formula: C19 H19 N5
• Calculated formula: C19 H19 N5
• SMILES: N#Cc1c(nc(c(c1c1ccc(cc1)C)C#N)N)N1CCCCC1
• Title of publication: 2-Amino-6-(piperidin-1-yl)-4-<i>p</i>-tolylpyridine-3,5-dicarbonitrile
• Authors of publication: Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Vasuki, Gnanasambandam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1807
• a: 14.8695 ± 0.0012 Å
• b: 7.735 ± 0.0006 Å
• c: 15.2791 ± 0.0013 Å
• α: 90°
• β: 107.196 ± 0.008°
• γ: 90°
• Cell volume: 1678.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.1573
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No