(5S,11aS)-5-Hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2H)-one

The absolute configuration of the title compound, C(14)H(13)NO(3)S, was assigned from the synthesis and confirmed by the structure determination. The central six-membered ring of the indolizine moiety adopts an envelope conformation, with the greatest deviation from the mean plane of the ring being...

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Autores principales: Vrábel, Viktor, Švorc, Ľubomír, Marchalín, Štefan, Šafář, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588932/
https://www.ncbi.nlm.nih.gov/pubmed/23476168
http://dx.doi.org/10.1107/S1600536812045394
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author Vrábel, Viktor
Švorc, Ľubomír
Marchalín, Štefan
Šafář, Peter
author_facet Vrábel, Viktor
Švorc, Ľubomír
Marchalín, Štefan
Šafář, Peter
author_sort Vrábel, Viktor
collection PubMed
description The absolute configuration of the title compound, C(14)H(13)NO(3)S, was assigned from the synthesis and confirmed by the structure determination. The central six-membered ring of the indolizine moiety adopts an envelope conformation, with the greatest deviation from the mean plane of the ring being 0.661 (2) Å for the bridgehead C atom. The benzothiene ring attached to the indolizine ring system is planar to within 0.008 (2) Å. In the crystal, mol­ecules form chains parallel to the b axis via O—H⋯O hydrogen bonds.
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spelling pubmed-35889322013-03-08 (5S,11aS)-5-Hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2H)-one Vrábel, Viktor Švorc, Ľubomír Marchalín, Štefan Šafář, Peter Acta Crystallogr Sect E Struct Rep Online Organic Papers The absolute configuration of the title compound, C(14)H(13)NO(3)S, was assigned from the synthesis and confirmed by the structure determination. The central six-membered ring of the indolizine moiety adopts an envelope conformation, with the greatest deviation from the mean plane of the ring being 0.661 (2) Å for the bridgehead C atom. The benzothiene ring attached to the indolizine ring system is planar to within 0.008 (2) Å. In the crystal, mol­ecules form chains parallel to the b axis via O—H⋯O hydrogen bonds. International Union of Crystallography 2012-11-10 /pmc/articles/PMC3588932/ /pubmed/23476168 http://dx.doi.org/10.1107/S1600536812045394 Text en © Vrábel et al. 2012 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
Švorc, Ľubomír
Marchalín, Štefan
Šafář, Peter
(5S,11aS)-5-Hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2H)-one
title (5S,11aS)-5-Hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2H)-one
title_full (5S,11aS)-5-Hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2H)-one
title_fullStr (5S,11aS)-5-Hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2H)-one
title_full_unstemmed (5S,11aS)-5-Hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2H)-one
title_short (5S,11aS)-5-Hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2H)-one
title_sort (5s,11as)-5-hydro­per­oxy-1,5,11,11a-tetra­hydro­[1]benzothieno[3,2-f]indol­izin-3(2h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588932/
https://www.ncbi.nlm.nih.gov/pubmed/23476168
http://dx.doi.org/10.1107/S1600536812045394
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