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EXPLORATION CONFORMATIONNELLE DES HETEROCYLES MOYENS MIXTES (N, O et S) A 8 CHAINONS ACCOLE A UN MOTIF CYCLOHEXENIQUE PAR LA MODELISATION MOLECULAIRE


ABDELMALEK O. 1, DIBI A. 2, LABBASSI M. 2
(1)FACULTÉ DE MÉDECINE, UNIVERSITÉ DE BATNA, RUE BOUKHELOUF, 05000 BATNA, ALGÉRIE. E-MAIL: M_OMARO@YAHOO.FR (2)DÉPARTEMENT DE CHIMIE, UNIVERSITÉ DE BATNA, RUE BOUKHELOUF, 05000 BATNA, ALGÉRIE.

Issue:

SCSCC6, Volume VI, No. 1

Section:

Volume VI - No. 1 (2005)

Abstract:

Conformational analysis of mixed medium heterocycles from 8 links joined to the cyclohexenic cycle was carried out using the mechanics calculations. The results show that those with trans jonction are the most stable and the less strained, whereas those with trans jonction in the cycle sulfur (X=S) have the higher conformational mobility. A diastereoselectivity has been observed in these heterocycles, where one observes an important predominance of the diastereoisomere trans in relation to the cis for the heterocycles nitrogen (X=N) and oxygen (X=O), whereas it is the diastereoisomere cis that is relatively predominant in the cycle sulfur (X=S).

Keywords:

conformational analysis, molecular modeling, molecular mechanics, molecular dynamics, stereoselectivity.

Code [ID]:

CSCC6200506V01S01A0002 [0001039]

Full paper:

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