Synthesis,characterization, crystal structure,and theoretical studies on Schiff-base compound 6-[(5-Bromopyridin-2-yl)iminomethyl]phenol |
| |
| Authors: | Aliakbar Dehno Khalaji Alireza Najafi Chermahini Karla Fejfarova Michal Dusek |
| |
| Institution: | (1) Department of Chemistry, Faculty of Science, Golestan University, Gorgan, Iran;(2) Department of Chemistry, Yasouj University, Yasouj, Iran;(3) Institute of Physics of the ASCR, Na Slovance 2, 182 21 Prague 8, Czech Republic |
| |
| Abstract: | 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. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
