Information card for entry 2234683

Structure parameters

• Chemical name: 2-Amino-6-(dimethylamino)pyridine-3,5-dicarbonitrile
• Formula: C9 H9 N5
• Calculated formula: C9 H9 N5
• SMILES: n1c(N)c(cc(c1N(C)C)C#N)C#N
• Title of publication: 2-Amino-6-(dimethylamino)pyridine-3,5-dicarbonitrile
• Authors of publication: Mohamed, Shaaban K.; Soliman, Ahmed M.; Abdel-Raheem, Eman M. M.; Saeed, Sohail; Wong, Wing-Tak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1532
• a: 28.667 ± 0.007 Å
• b: 3.9702 ± 0.001 Å
• c: 17.95 ± 0.004 Å
• α: 90°
• β: 112.92 ± 0.003°
• γ: 90°
• Cell volume: 1881.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes