Synthesis, characterization, crystal structure, and theoretical studies on Schiff-base compound 6-[(5-Bromopyridin-2-yl)iminomethyl]phenol

被引：0

作者：

Aliakbar Dehno Khalaji

Alireza Najafi Chermahini

Karla Fejfarova

Michal Dusek

机构：

[1] Golestan University,Department of Chemistry, Faculty of Science

[2] Yasouj University,Department of Chemistry

[3] Institute of Physics of the ASCR,undefined

来源：

Structural Chemistry | 2010年 / 21卷

关键词：

Schiff-base compound; Single crystal; Monoclinic; Spectroscopy; DFT;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The title Schiff-base compound, 6-[(5-Bromopyridin-2-yl)iminomethyl]phenol (1), has been synthesized and characterized by elemental analyses, FT-IR, UV–Vis and 1H-NMR spectroscopy, and X-ray single crystal diffraction. In the gas phase four isomers were found for title compound. Density functional (DFT) calculations have been carried out and it was found that the A isomer is the most stable one. The protonated imine N atom is involved in intra- and inter-molecular hydrogen bonds with the phenoxide group and H aromatic atoms, respectively. The title compound displays a trans configuration about the C=N double bond.

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页码：153 / 157

页数：4

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