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

被引：1
作者：
Chantrapromma, S. [1 ]
Boonnak, N. [2 ]
Kaewmanee, N. [1 ]
Ruanwas, P. [1 ]
Fun, H. -K. [3 ,4 ]
机构：
[1] Prince Songkla Univ, Fac Sci, Dept Chem, Hat Yai, Songkhla, Thailand
[2] Prince Songkla Univ, Fac Tradit Thai Med, Hat Yai, Songkhla, Thailand
[3] King Saud Univ, Coll Pharm, Dept Pharmaceut Chem, Riyadh 11451, Saudi Arabia
[4] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, George Town, Malaysia
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 2014年 / 55卷 / 04期
关键词：
crystal structure; pyridinium; quaternary ammonium compound (QAC); pi stacking; pi-pi interaction;
D O I：
10.1134/S0022476614040180
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
1-Methyl-2-((1E,3E)-4-phenylbuta-1,3-dienyl)pyridinium iodide (1) is synthesized and characterized by UV-Vis, FT-IR, H-1 and C-13 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) , b = 20.1216(17) , c = 11.2071(10) , V = 2891.8(4) (3) 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)A degrees. In the crystal packing, cations form stacks in an anti-parallel V-shaped manner along the a axis through pi-pi interactions between pyridinium and phenyl rings.
引用
收藏
页码：713 / 716
页数：4
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