Information card for entry 2229657

Structure parameters

• Chemical name: 1,4-Bis[(2-pyridylethyl)iminomethyl]benzene
• Formula: C22 H22 N4
• Calculated formula: C22 H22 N4
• SMILES: c1ccc(nc1)CC/N=C/c1ccc(cc1)/C=N/CCc1ccccn1
• Title of publication: 1,4-Bis[(2-pyridylethyl)iminomethyl]benzene
• Authors of publication: Chiririwa, Haleden; Moss, John R.; Su, Hong; Hendricks, Denver; Meijboom, Reinout
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o921
• a: 6.0078 ± 0.0006 Å
• b: 26.023 ± 0.003 Å
• c: 6.1319 ± 0.0007 Å
• α: 90°
• β: 106.009 ± 0.002°
• γ: 90°
• Cell volume: 921.49 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes