Information card for entry 2207791

Structure parameters

• Chemical name: Di-2-pyridyl ketone azine
• Formula: C22 H16 N6
• Calculated formula: C22 H16 N6
• SMILES: c1ccc(nc1)C(=NN=C(c1ccccn1)c1ccccn1)c1ccccn1
• Title of publication: Di-2-pyridyl ketone azine
• Authors of publication: Chen, Xu-Dong; Zhang, Lin-Ping; Du, Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o284 - o285
• a: 12.226 ± 0.004 Å
• b: 5.8241 ± 0.0019 Å
• c: 13.617 ± 0.004 Å
• α: 90°
• β: 111.265 ± 0.006°
• γ: 90°
• Cell volume: 903.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes