MOLECULAR-STRUCTURE AND ELECTRONIC-PROPERTIES OF A 1-SULFONYLINDOLIZINE DERIVATIVE, 2-ISOPROPYL-1-METHYLSULFONYLINDOLIZINE

Citation
V. Gibon et al., MOLECULAR-STRUCTURE AND ELECTRONIC-PROPERTIES OF A 1-SULFONYLINDOLIZINE DERIVATIVE, 2-ISOPROPYL-1-METHYLSULFONYLINDOLIZINE, Acta crystallographica. Section C, Crystal structure communications, 50, 1994, pp. 1749-1753
Citations number
22
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
50
Year of publication
1994
Part
11
Pages
1749 - 1753
Database
ISI
SICI code
0108-2701(1994)50:<1749:MAEOA1>2.0.ZU;2-Z
Abstract
For the title compound, C12H15NO2S, both the crystallographic data and theoretical results (ab initio molecular-orbital calculations) indica te a stabilization of the symmetrical conformation of the sulfone grou p with respect to the indolizinic bicycle. The crystal packing and the topology of the frontier orbitals clearly suggest a charge-transfer p rocess from the five-membered ring towards the six-membered ring of th e indolizine for two adjacent molecules.