Crystal structure and IR and electronic spectra of 3-o-tolyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline hemihydrate |
| |
| Authors: | V. I. Sokol V. V. Davydov M. A. Ryabov N. Yu. Merkur’eva Yu. V. Shklyaev V. A. Glushkov V. S. Sergienko |
| |
| Affiliation: | (1) Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 117907, Russia;(2) Russian University of People’s Friendship, ul. Miklukho-Maklaya 6, Moscow, 117198, Russia;(3) Institute of Technical Chemistry, Ural Division, Russian Academy of Sciences, ul. Lenina 13, Perm, 614600, Russia |
| |
| Abstract: | The crystal and molecular structures of 3-o-tolyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline hemihydrate L · 0.5H2O are determined. The crystal is built of the 2L · H2O dimers, which are formed by the O-H?N hydrogen bonds between the water molecule and the nitrogen atoms in the 1-position of the L molecules. IR and electronic spectra of the compound are studied. Model quantum-chemical calculations are performed. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
