Cargando…

(4aR,9R,9aR)-7-Bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1H-xanthen-1-one

The title compound, C(14)H(14)BrNO(4), contains a tricyclic ring system including three contiguous stereocenters all of which exhibit an R configuration. The cyclo­hexa­none ring adopts a chair conformation. The central oxane ring assumes a strained envelope conformation, with five of the ring atoms...

Descripción completa

Detalles Bibliográficos
Autores principales: Wu, Chao, Guo, Yan-Jun, Xia, Ai-Bao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648316/
https://www.ncbi.nlm.nih.gov/pubmed/23723936
http://dx.doi.org/10.1107/S1600536813008659
_version_ 1782268817379950592
author Wu, Chao
Guo, Yan-Jun
Xia, Ai-Bao
author_facet Wu, Chao
Guo, Yan-Jun
Xia, Ai-Bao
author_sort Wu, Chao
collection PubMed
description The title compound, C(14)H(14)BrNO(4), contains a tricyclic ring system including three contiguous stereocenters all of which exhibit an R configuration. The cyclo­hexa­none ring adopts a chair conformation. The central oxane ring assumes a strained envelope conformation, with five of the ring atoms being nearly coplanar with the bromo­phenyl group and with the C atom adjacent to the O atom and fused with the cyclo­hexa­none ring as the flap. In the crystal, mol­ecules are linked into a three-dimensional network by C—H⋯O inter­actions.
format Online
Article
Text
id pubmed-3648316
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-36483162013-05-30 (4aR,9R,9aR)-7-Bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1H-xanthen-1-one Wu, Chao Guo, Yan-Jun Xia, Ai-Bao Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(14)H(14)BrNO(4), contains a tricyclic ring system including three contiguous stereocenters all of which exhibit an R configuration. The cyclo­hexa­none ring adopts a chair conformation. The central oxane ring assumes a strained envelope conformation, with five of the ring atoms being nearly coplanar with the bromo­phenyl group and with the C atom adjacent to the O atom and fused with the cyclo­hexa­none ring as the flap. In the crystal, mol­ecules are linked into a three-dimensional network by C—H⋯O inter­actions. International Union of Crystallography 2013-04-27 /pmc/articles/PMC3648316/ /pubmed/23723936 http://dx.doi.org/10.1107/S1600536813008659 Text en © Wu et al. 2013 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
Wu, Chao
Guo, Yan-Jun
Xia, Ai-Bao
(4aR,9R,9aR)-7-Bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1H-xanthen-1-one
title (4aR,9R,9aR)-7-Bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1H-xanthen-1-one
title_full (4aR,9R,9aR)-7-Bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1H-xanthen-1-one
title_fullStr (4aR,9R,9aR)-7-Bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1H-xanthen-1-one
title_full_unstemmed (4aR,9R,9aR)-7-Bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1H-xanthen-1-one
title_short (4aR,9R,9aR)-7-Bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1H-xanthen-1-one
title_sort (4ar,9r,9ar)-7-bromo-9-nitro­methyl-2,3,4,4a,9,9a-hexa­hydro-1h-xanthen-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648316/
https://www.ncbi.nlm.nih.gov/pubmed/23723936
http://dx.doi.org/10.1107/S1600536813008659
work_keys_str_mv AT wuchao 4ar9r9ar7bromo9nitromethyl2344a99ahexahydro1hxanthen1one
AT guoyanjun 4ar9r9ar7bromo9nitromethyl2344a99ahexahydro1hxanthen1one
AT xiaaibao 4ar9r9ar7bromo9nitromethyl2344a99ahexahydro1hxanthen1one