1-Methyl-2-((1E,3E)-4-phenylbuta-1,3-dienyl)pyridinium iodide: Synthesis, characterization, and X-ray analysis

被引：0
|
作者：
S. Chantrapromma
N. Boonnak
N. Kaewmanee
P. Ruanwas
H. -K. Fun
机构：
[1] Prince of Songkla University,Department of Chemistry, Faculty of Science
[2] Prince of Songkla University,Faculty of Traditional Thai Medicine
[3] King Saud University,Department of Pharmaceutical Chemistry, College of Pharmacy
[4] Universiti Sains Malaysia,X
来源：
Journal of Structural Chemistry | 2014年 / 55卷
关键词：
crystal structure; pyridinium; quaternary ammonium compound (QAC); π stacking; π-π interaction;
D O I：
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中图分类号：
学科分类号：
摘要：
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) Å, b = 20.1216(17) Å, c = 11.2071(10) Å, V = 2891.8(4) Å3 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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页码：713 / 716
页数：3
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