Information card for entry 2007329

Structure parameters

• Chemical name: 2-Dicyanomethylene-5,6-dimethyl-3-cyano-1,2-dihydropyridine
• Formula: C11 H8 N4
• Calculated formula: C11 H8 N4
• SMILES: [nH]1c(c(cc(c1C)C)C#N)=C(C#N)C#N
• Title of publication: 2-Dicyanomethylene-5,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
• Authors of publication: Elgemeie, Galal E. H.; Hanfy, Nadia; Hopf, Henning; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 820 - 822
• a: 7.712 ± 0.003 Å
• b: 11.579 ± 0.004 Å
• c: 11.416 ± 0.004 Å
• α: 90°
• β: 106.11 ± 0.03°
• γ: 90°
• Cell volume: 979.4 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.143
• Weighted residual factors for significantly intense reflections: 0.123
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No