Information card for entry 2223088

Structure parameters

• Chemical name: <i>N</i>^2^-(2-Pyridyl)-<i>N</i>^6^-(4-pyridyl)pyridine-2,6-diamine
• Formula: C15 H13 N5
• Calculated formula: C15 H13 N5
• SMILES: n1c(Nc2ccncc2)cccc1Nc1ncccc1
• Title of publication: <i>N</i>^2^-(2-Pyridyl)-<i>N</i>^6^-(4-pyridyl)pyridine-2,6-diamine
• Authors of publication: Wang, Zhi-Min; Shao, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2273
• a: 11.4884 ± 0.0015 Å
• b: 7.3445 ± 0.001 Å
• c: 30.718 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes