(3aRS,7aSR)-7a-Meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile

The racemic title compound, C(11)H(12)N(2)O(3), contains a [4.3.0]bicyclic unit in which the shared C—C bond adopts a cis configuration. The five- and six-membered rings are in twisted envelope (with the bridgehead C atom bearing the methoxy substituent as the flap) and distorted chair conformations...

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Detalles Bibliográficos
Autores principales: González, María, Martínez, Andrea, Rivadulla, Marcos L., Covelo, Berta
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/PMC3589067/
https://www.ncbi.nlm.nih.gov/pubmed/23476303
http://dx.doi.org/10.1107/S1600536812048519
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author González, María
Martínez, Andrea
Rivadulla, Marcos L.
Covelo, Berta
author_facet González, María
Martínez, Andrea
Rivadulla, Marcos L.
Covelo, Berta
author_sort González, María
collection PubMed
description The racemic title compound, C(11)H(12)N(2)O(3), contains a [4.3.0]bicyclic unit in which the shared C—C bond adopts a cis configuration. The five- and six-membered rings are in twisted envelope (with the bridgehead C atom bearing the methoxy substituent as the flap) and distorted chair conformations, respectively. In the crystal, the mol­ecules are linked via weak C—H⋯O iteractions, forming ladder-like chains along [010].
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spelling pubmed-35890672013-03-08 (3aRS,7aSR)-7a-Meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile González, María Martínez, Andrea Rivadulla, Marcos L. Covelo, Berta Acta Crystallogr Sect E Struct Rep Online Organic Papers The racemic title compound, C(11)H(12)N(2)O(3), contains a [4.3.0]bicyclic unit in which the shared C—C bond adopts a cis configuration. The five- and six-membered rings are in twisted envelope (with the bridgehead C atom bearing the methoxy substituent as the flap) and distorted chair conformations, respectively. In the crystal, the mol­ecules are linked via weak C—H⋯O iteractions, forming ladder-like chains along [010]. International Union of Crystallography 2012-11-30 /pmc/articles/PMC3589067/ /pubmed/23476303 http://dx.doi.org/10.1107/S1600536812048519 Text en © González 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
González, María
Martínez, Andrea
Rivadulla, Marcos L.
Covelo, Berta
(3aRS,7aSR)-7a-Meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile
title (3aRS,7aSR)-7a-Meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile
title_full (3aRS,7aSR)-7a-Meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile
title_fullStr (3aRS,7aSR)-7a-Meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile
title_full_unstemmed (3aRS,7aSR)-7a-Meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile
title_short (3aRS,7aSR)-7a-Meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile
title_sort (3ars,7asr)-7a-meth­oxy-2-oxo-2,3,3a,4,5,6,7,7a-octa­hydro-1-benzofuran-4,4-dicarbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589067/
https://www.ncbi.nlm.nih.gov/pubmed/23476303
http://dx.doi.org/10.1107/S1600536812048519
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