Information card for entry 2243684

Structure parameters

• Common name: <i>trans</i>-1,2-Bis(pyridin-3-yl)ethylene
• Chemical name: <i>trans</i>-1,2-Bis(pyridin-3-yl)ethene
• Formula: C12 H10 N2
• Calculated formula: C12 H10 N2
• SMILES: C(=C\c1cnccc1)/c1cnccc1
• Title of publication: X-ray crystal structure of <i>trans</i>-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(<i>n</i>-pyridyl)ethylenes (<i>n</i> = 2, 3, or 4) constitutional isomers
• Authors of publication: Quentin, Jay; Reinheimer, Eric W.; MacGillivray, Leonard R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 12
• Pages of publication: 1859 - 1862
• a: 7.4591 ± 0.0007 Å
• b: 5.5045 ± 0.0006 Å
• c: 11.7803 ± 0.0012 Å
• α: 90°
• β: 99.638 ± 0.005°
• γ: 90°
• Cell volume: 476.86 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0787
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes