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Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carboxylate
In the title compound, C(20)H(19)NO(5), the dihedral angle between the mean plane of the pyran ring (which has a half-chair conformation) and the benzene ring of the chromeno ring system is 7.21 (7)°. The dihedral angle between the mean plane of the chromeno ring system and the isoxazole ring is 21....
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/PMC3569242/ https://www.ncbi.nlm.nih.gov/pubmed/23424465 http://dx.doi.org/10.1107/S1600536812051720 |
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author | Suresh, G. Srinivasan, J. Bakthadoss, M. Aravindhan, S. |
author_facet | Suresh, G. Srinivasan, J. Bakthadoss, M. Aravindhan, S. |
author_sort | Suresh, G. |
collection | PubMed |
description | In the title compound, C(20)H(19)NO(5), the dihedral angle between the mean plane of the pyran ring (which has a half-chair conformation) and the benzene ring of the chromeno ring system is 7.21 (7)°. The dihedral angle between the mean plane of the chromeno ring system and the isoxazole ring is 21.78 (6)°, while the isoxazole ring forms a dihedral angle of 72.60 (8)° with the attached phenyl ring. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(10) ring motif. These dimers are linked via C—H⋯N hydrogen bonds, forming chains along [001]. |
format | Online Article Text |
id | pubmed-3569242 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35692422013-02-19 Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carboxylate Suresh, G. Srinivasan, J. Bakthadoss, M. Aravindhan, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(19)NO(5), the dihedral angle between the mean plane of the pyran ring (which has a half-chair conformation) and the benzene ring of the chromeno ring system is 7.21 (7)°. The dihedral angle between the mean plane of the chromeno ring system and the isoxazole ring is 21.78 (6)°, while the isoxazole ring forms a dihedral angle of 72.60 (8)° with the attached phenyl ring. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(10) ring motif. These dimers are linked via C—H⋯N hydrogen bonds, forming chains along [001]. International Union of Crystallography 2013-01-04 /pmc/articles/PMC3569242/ /pubmed/23424465 http://dx.doi.org/10.1107/S1600536812051720 Text en © Suresh 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 Suresh, G. Srinivasan, J. Bakthadoss, M. Aravindhan, S. Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carboxylate |
title | Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carboxylate |
title_full | Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carboxylate |
title_fullStr | Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carboxylate |
title_full_unstemmed | Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carboxylate |
title_short | Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carboxylate |
title_sort | methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3h-chromeno[4,3-c]isoxazole-3a-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569242/ https://www.ncbi.nlm.nih.gov/pubmed/23424465 http://dx.doi.org/10.1107/S1600536812051720 |
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