Information card for entry 2007367

Structure parameters

• Chemical name: 2-(1-Methyl-1,2-dihydropyridine-2-iminomethylene)propanedinitrile
• Formula: C10 H8 N4
• Calculated formula: C10 H8 N4
• SMILES: [n+]1(c(cccc1)/N=C/[C-](C#N)C#N)C
• Title of publication: 2-(1-Methyl-1,2-dihydro-2-pyridylideneaminomethylene)propanedinitrile
• Authors of publication: Ján Lokaj; Viktor Kettmann; Viktor Milata; Rudolf Kada; Jordis Ulrich
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 785 - 787
• a: 11.686 ± 0.008 Å
• b: 3.956 ± 0.002 Å
• c: 20.404 ± 0.013 Å
• α: 90°
• β: 106.06 ± 0.07°
• γ: 90°
• Cell volume: 906.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1101
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1303
• Weighted residual factors for significantly intense reflections: 0.0975
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No