Abstract
1-Methyl-2-((1E,3E)-4-phenylbuta-1,3-dienyl)pyridinium iodide (1) is synthesized and characterized by UV-Vis, FT-IR, 1H and 13C NMR, and single crystal X-ray diffraction. Compound 1 crystallizes in an orthorhombic Iba2 space group with the unit cell parameters a = 12.8236(11) A, b = 20.1216(17) A, c = 11.2071(10) A, V = 2891.8(4) A3 and Z = 8. X-ray diffraction indicates that the molecule of 1 displays E,E configurations with respect to the two middle C=C double bonds. The molecular structure of 1 is twisted and the dihedral angle between the pyridinium and phenyl rings is 15.0(2)°. In the crystal packing, cations form stacks in an anti-parallel V-shaped manner along the a axis through π-π interactions between pyridinium and phenyl rings.
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