<abstract xmlns="http://www.w3.org/1999/xhtml"> The molecules of the title compound, C11H16NS·I, crystallize as single enantiomer with two stereogenic centre, their absolute configuration were confirmed by anomalous dispersion effects in diffraction measurements on the crystals. The conformation of the pyrrolidine ring is close to that of an envelope, with the flap atom N1 displaced by 0.661 (2) A from the plane of the oder remaining four atoms. The central six-membered ring of the indolizine moiety adopt a half-chair conformation with atom C5 displaced by -0.686 (2) Å from the plane of the oder remaining five atoms. The crystal structure of the title compound is stabilized by C-H···I···H-C hydrogen interactions.</abstract>

The molecules of the title compound, C11H16NS·I, crystallize as single enantiomer with two stereogenic centre, their absolute configuration were confirmed by anomalous dispersion effects in diffraction measurements on the crystals. The conformation of the pyrrolidine ring is close to that of an envelope, with the flap atom N1 displaced by 0.661 (2) A from the plane of the oder remaining four atoms. The central six-membered ring of the indolizine moiety adopt a half-chair conformation with atom C5 displaced by -0.686 (2) Å from the plane of the oder remaining five atoms. The crystal structure of the title compound is stabilized by C-H···I···H-C hydrogen interactions.

Crystal, molecular and electronic structure of (5S,8aS)-5-methyl-4,6,7,8,8a,9-hexahydrothieno-[ 3,2-f] indolizinium iodide

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 Technology, 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.

The molecules of the title compound, C11H16NS·I, crystallize as single enantiomer with two stereogenic centre, their absolute configuration were confirmed by...

Crystal, molecular and electronic structure of (5S,8aS)-5-methyl-4,6,7,8,8a,9-hexahydrothieno-[ 3,2-f] indolizinium iodide

Pubblicato online: 20 dic 2014

Pagine: 73 - 76

DOI: https://doi.org/10.2478/acs-2014-0013

Parole chiave
conformation, crystal and electronic structure, hydrogen interactions, indolizine, single-crystal X-ray study.

© Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

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

Crystal, molecular and electronic structure of (5S,8aS)-5-methyl-4,6,7,8,8a,9-hexahydrothieno-[ 3,2-f] indolizinium iodide

Pubblicato online: 20 dic 2014

Pagine: 73 - 76

DOI: https://doi.org/10.2478/acs-2014-0013

Parole chiaveconformation, crystal and electronic structure, hydrogen interactions, indolizine, single-crystal X-ray study.

© Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

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

Parole chiave
conformation, crystal and electronic structure, hydrogen interactions, indolizine, single-crystal X-ray study.