CONFORMATIONAL COMPLEXITY IN 7-MEMBERED CYCLIC TRIAZEPINONE OPEN HYDRAZONES .2. MOLECULAR MODELING AND X-RAY STUDY

Authors
SIMEONOV MF FULOP F SILLANPAA R PIHLAJA K
Citation
Mf. Simeonov et al., CONFORMATIONAL COMPLEXITY IN 7-MEMBERED CYCLIC TRIAZEPINONE OPEN HYDRAZONES .2. MOLECULAR MODELING AND X-RAY STUDY, Journal of organic chemistry, 62(15), 1997, pp. 5089-5095
Citations number
38
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Journal of organic chemistry → ACNP
ISSN journal
00223263
Volume
62
Issue
15
Year of publication
1997
Pages
5089 - 5095
Database
ISI
SICI code
0022-3263(1997)62:15<5089:CCI7CT>2.0.ZU;2-S
Abstract
The thermodynamic parameters obtained from NMR experiments are compare d with the results of theoretical (molecular mechanics MMX and semiemp irical AM1, PM3, and MNDO MO) calculations and of X-ray measurements t o acquire an additional insight into the dynamic processes of these se ven-membered benzoheterocycles.