<abstract xmlns="http://www.w3.org/1999/xhtml">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.</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.

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

Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, Slovak Technical University, Radlinského 9, SK-812 37 Bratislava, Slovak Republic

Institute of Mathematics and Physics, Faculty of Mechanical Engineering, Slovak University of Technologyy, Námestie slobody 17, SK-812 31 Bratislava, Slovak Republic

Institute of Organic Chemistry, Catalysis and Petrochemistry, Faculty of Chemical and Food Technology, Slovak Technical University, Radlinského 9, SK-812 37 Bratislava, Slovak Republic

Acta Chimica Slovaca

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Molecules of the title compound, C13H21NO3, crystallize as single enantiomers with four stereogenic centres, their absolute configuration were confirmed by...

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

Publicado en línea: 15 jun 2015

Páginas: 22 - 26

DOI: https://doi.org/10.1515/acs-2015-0005

Palabras clave
conformation, crystal and electronic structure, hydrogen interactions, indolizine, single-crystal X-ray study

© Viktor Vrábel et al.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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

Publicado en línea: 15 jun 2015

Páginas: 22 - 26

DOI: https://doi.org/10.1515/acs-2015-0005

Palabras claveconformation, crystal and electronic structure, hydrogen interactions, indolizine, single-crystal X-ray study

© Viktor Vrábel et al.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Palabras clave
conformation, crystal and electronic structure, hydrogen interactions, indolizine, single-crystal X-ray study