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Crystal, molecular and electronic structure of (3aS,4S,9aS,9bR)-4-ethyl-2,2-dimethylhexahydro-[1,3]dioxolo[4,5-g] indolizin-7(3aH)-one Cover

Crystal, molecular and electronic structure of (3aS,4S,9aS,9bR)-4-ethyl-2,2-dimethylhexahydro-[1,3]dioxolo[4,5-g] indolizin-7(3aH)-one

Open Access
|Jun 2015

Abstract

Molecules of the title compound, C13H21NO3, crystallize as single enantiomers with four stereogenic centres, their absolute configuration were confirmed by anomalous dispersion effects determined by diffraction measurements on the crystals. Conformations of the pyrrolidine and 1,3-oxolane rings are close to that of an envelope, with the flap atoms displaced by −0.205 (1) and −0.449 (1) Å, respectively, from the plane of the other remaining four atoms. The central six-membered ring of the indolizine moiety adopts a nearly perfect boat conformation, with two atoms displaced by 0.575 (1) and 0.603 (1) Å from the plane of the other remaining four atoms. Crystal structure of the title compound is stabilized by C−H···O hydrogen interactions.

DOI: https://doi.org/10.1515/acs-2015-0005 | Journal eISSN: 1339-3065 | Journal ISSN: 1337-978X
Language: English
Page range: 22 - 26
Published on: Jun 15, 2015
Published by: Slovak University of Technology in Bratislava
In partnership with: Paradigm Publishing Services
Publication frequency: 2 issues per year
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© 2015 Viktor Vrábel, Július Sivý, Peter Šafař, Jozefína Žúšiová, published by Slovak University of Technology in Bratislava
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.