Information card for entry 2224076

Structure parameters

• Chemical name: 1,4-Bis(2-pyridyliminomethyl)benzene
• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: c1ccc(nc1)/N=C/c1ccc(cc1)/C=N/c1ccccn1
• Title of publication: 1,4-Bis(2-pyridyliminomethyl)benzene
• Authors of publication: Huo, Li-Hua; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2659
• a: 6.1579 ± 0.0008 Å
• b: 18.911 ± 0.003 Å
• c: 6.5956 ± 0.0011 Å
• α: 90°
• β: 109.746 ± 0.005°
• γ: 90°
• Cell volume: 722.91 ± 0.19 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: 0.0986
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes