Издательство СО РАН

Издательство СО РАН

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Поиск по журналу

Журнал структурной химии

2014 год, номер 4

1-METHYL-2-((1 E,3 E)-4-PHENYLBUTA-1,3-DIENYL)PYRIDINIUM IODIDE: SYNTHESIS, CHARACTERIZATION, AND X-RAY ANALYSIS

S. Chantrapromma1, N. Boonnak1, N. Kaewmanee1, P. Ruanwas1, H.-K. Fun2,3
1Prince of Songkla University, Hat-Yai, Songkhla, Thailand
suchada.c@psu.ac.th
2King Saud University, Riyadh, Saudi Arabia
3Universiti Sains Malaysia, Penang, Malaysia
Ключевые слова: crystal structure, pyridinium, quaternary ammonium compound (QAC), ПЂ stacking, ПЂ-ПЂ interaction
Страницы: 747-750
Подраздел: КРИСТАЛЛОХИМИЯ

Аннотация

1-Methyl-2-((1 E ,3 E )-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) Å 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)°. 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.