Information card for entry 7053713

Structure parameters

• Formula: C20 H19 N5
• Calculated formula: C20 H19 N5
• SMILES: n1c(C)cc(C)c2ccc(nc12)Nc1nc2nc(cc(c2cc1)C)C
• Title of publication: Conformation impact on spectral properties of bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine and its ZnII complex
• Authors of publication: Chen, Yong; Fu, Wen-Fu; Li, Jun-Li; Zhao, Xi-Juan; Ou, Xue-Mei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 1785
• a: 12.921 ± 0.002 Å
• b: 8.1511 ± 0.0015 Å
• c: 16.069 ± 0.003 Å
• α: 90°
• β: 96.767 ± 0.003°
• γ: 90°
• Cell volume: 1680.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No