CONFORMATIONAL FLEXIBILITY OF 1,4-DIHYDROAZINE CARBONYL DERIVATIVES

Authors
SHISHKIN OV
Citation
Ov. Shishkin, CONFORMATIONAL FLEXIBILITY OF 1,4-DIHYDROAZINE CARBONYL DERIVATIVES, Monatshefte fuer Chemie, 127(8-9), 1996, pp. 883-886
Citations number
9
Categorie Soggetti
Chemistry
Journal title
Monatshefte fuer Chemie → ACNP
ISSN journal
00269247
Volume
127
Issue
8-9
Year of publication
1996
Pages
883 - 886
Database
ISI
SICI code
0026-9247(1996)127:8-9<883:CFO1CD>2.0.ZU;2-V
Abstract
The molecular geometry of 4-oxo derivatives of 1,4-dihydropyridine, 1, 4-dihydropyrimidine, 1,4-dihydropyridazine, and 1,4-dihydro-1,3,5-tria zine has been calculated by the semi-empirical quantum-chemical AM1 me thod. It could be shown that the dihydrocycle in these compounds is no t conformationally rigid. Changing the angle between the endocyclic do uble bond planes +/- 15 degrees causes less than 1 kcal/mol increase o f energy.