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(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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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 |
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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 |
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