Information card for entry 2005844

Structure parameters

• Formula: C14 H13 N3
• Calculated formula: C14 H13 N3
• SMILES: N#Cc1c(C)cc(nc1Nc1ccccc1)C
• Title of publication: 2-Anilino-4,6-dimethylpyridine-3-carbonitrile, an Intermediate in the Synthesis of 5-Aminobenzo[<i>b</i>][1,8]naphthyridines
• Authors of publication: Mefetah, H.; Giorgi, M.; Brouant, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 101 - 102
• a: 7.956 ± 0.002 Å
• b: 8.193 ± 0.002 Å
• c: 9.313 ± 0.002 Å
• α: 89.89 ± 0.01°
• β: 94.79 ± 0.01°
• γ: 90.95 ± 0.01°
• Cell volume: 604.9 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.239
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.613
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No