Cargando…

(4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide

The title compound, C(11)H(22)NO(2) (+)·I(−), is a chiral mol­ecule with five stereogenic centres. The absolute configuration was assigned from the synthesis and confirmed by the structure determination. The central six-membered ring of the indolizine system adopts a chair conformation, with two ato...

Descripción completa

Detalles Bibliográficos
Autores principales: Vrábel, Viktor, Sivý, Július, Švorc, Ľubomír, Šafář, Peter, Žužiová, Jozefína
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239140/
https://www.ncbi.nlm.nih.gov/pubmed/22199988
http://dx.doi.org/10.1107/S1600536811051099
_version_ 1782219133756112896
author Vrábel, Viktor
Sivý, Július
Švorc, Ľubomír
Šafář, Peter
Žužiová, Jozefína
author_facet Vrábel, Viktor
Sivý, Július
Švorc, Ľubomír
Šafář, Peter
Žužiová, Jozefína
author_sort Vrábel, Viktor
collection PubMed
description The title compound, C(11)H(22)NO(2) (+)·I(−), is a chiral mol­ecule with five stereogenic centres. The absolute configuration was assigned from the synthesis and confirmed by the structure determination. The central six-membered ring of the indolizine system adopts a chair conformation, with two atoms displaced by −0.690 (2) and 0.550 (2) Å from the plane of the other four atoms. The conformation of the pyrrolidine ring is close to that of an envelope, with the flap atom displaced by 0.563 (2) Å from the plane of the remaining four atoms. In the crystal, there are two O—H⋯I hydrogen bonds.
format Online
Article
Text
id pubmed-3239140
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-32391402011-12-23 (4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide Vrábel, Viktor Sivý, Július Švorc, Ľubomír Šafář, Peter Žužiová, Jozefína Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(22)NO(2) (+)·I(−), is a chiral mol­ecule with five stereogenic centres. The absolute configuration was assigned from the synthesis and confirmed by the structure determination. The central six-membered ring of the indolizine system adopts a chair conformation, with two atoms displaced by −0.690 (2) and 0.550 (2) Å from the plane of the other four atoms. The conformation of the pyrrolidine ring is close to that of an envelope, with the flap atom displaced by 0.563 (2) Å from the plane of the remaining four atoms. In the crystal, there are two O—H⋯I hydrogen bonds. International Union of Crystallography 2011-11-30 /pmc/articles/PMC3239140/ /pubmed/22199988 http://dx.doi.org/10.1107/S1600536811051099 Text en © Vrábel et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Vrábel, Viktor
Sivý, Július
Švorc, Ľubomír
Šafář, Peter
Žužiová, Jozefína
(4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide
title (4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide
title_full (4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide
title_fullStr (4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide
title_full_unstemmed (4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide
title_short (4R,6S,7S,8S,8aS)-6-Ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide
title_sort (4r,6s,7s,8s,8as)-6-ethyl-7,8-dihy­droxy-4-methyl-1,2,3,5,6,7,8,8a-octa­hydro­indolizin-4-ium iodide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239140/
https://www.ncbi.nlm.nih.gov/pubmed/22199988
http://dx.doi.org/10.1107/S1600536811051099
work_keys_str_mv AT vrabelviktor 4r6s7s8s8as6ethyl78dihydroxy4methyl12356788aoctahydroindolizin4iumiodide
AT sivyjulius 4r6s7s8s8as6ethyl78dihydroxy4methyl12356788aoctahydroindolizin4iumiodide
AT svorclubomir 4r6s7s8s8as6ethyl78dihydroxy4methyl12356788aoctahydroindolizin4iumiodide
AT safarpeter 4r6s7s8s8as6ethyl78dihydroxy4methyl12356788aoctahydroindolizin4iumiodide
AT zuziovajozefina 4r6s7s8s8as6ethyl78dihydroxy4methyl12356788aoctahydroindolizin4iumiodide