rac-Methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl­ate

The title compound, C(19)H(17)NO(5), comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the meth...

Descripción completa

Detalles Bibliográficos
Autores principales: Paramasivam, S., Srinivasan, J., Seshadri, P. R., Bakthadoss, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647860/
https://www.ncbi.nlm.nih.gov/pubmed/23723826
http://dx.doi.org/10.1107/S1600536813008635
_version_ 1782268792350441472
author Paramasivam, S.
Srinivasan, J.
Seshadri, P. R.
Bakthadoss, M.
author_facet Paramasivam, S.
Srinivasan, J.
Seshadri, P. R.
Bakthadoss, M.
author_sort Paramasivam, S.
collection PubMed
description The title compound, C(19)H(17)NO(5), comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the meth­oxy­phenyl group as the flap. The dihedral angle between the mean plane of the pyran ring and the adjacent benzene ring is 5.86 (5)°. In the crystal, mol­ecules are linked by a weak C—H⋯O hydrogen bond, forming a chain along the a axis.
format Online
Article
Text
id pubmed-3647860
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-36478602013-05-30 rac-Methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl­ate Paramasivam, S. Srinivasan, J. Seshadri, P. R. Bakthadoss, M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(19)H(17)NO(5), comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the meth­oxy­phenyl group as the flap. The dihedral angle between the mean plane of the pyran ring and the adjacent benzene ring is 5.86 (5)°. In the crystal, mol­ecules are linked by a weak C—H⋯O hydrogen bond, forming a chain along the a axis. International Union of Crystallography 2013-04-05 /pmc/articles/PMC3647860/ /pubmed/23723826 http://dx.doi.org/10.1107/S1600536813008635 Text en © Paramasivam 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
Paramasivam, S.
Srinivasan, J.
Seshadri, P. R.
Bakthadoss, M.
rac-Methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl­ate
title rac-Methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl­ate
title_full rac-Methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl­ate
title_fullStr rac-Methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl­ate
title_full_unstemmed rac-Methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl­ate
title_short rac-Methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl­ate
title_sort rac-methyl 3-(2-meth­oxy­phen­yl)-3a,4-di­hydro-3h-chromeno[4,3-c]isoxazole-3a-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647860/
https://www.ncbi.nlm.nih.gov/pubmed/23723826
http://dx.doi.org/10.1107/S1600536813008635
work_keys_str_mv AT paramasivams racmethyl32methoxyphenyl3a4dihydro3hchromeno43cisoxazole3acarboxylate
AT srinivasanj racmethyl32methoxyphenyl3a4dihydro3hchromeno43cisoxazole3acarboxylate
AT seshadripr racmethyl32methoxyphenyl3a4dihydro3hchromeno43cisoxazole3acarboxylate
AT bakthadossm racmethyl32methoxyphenyl3a4dihydro3hchromeno43cisoxazole3acarboxylate

Ejemplares similares