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8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo­nitrile

In the title compound, C(17)H(11)BrN(2)O(2), the five-membered isoxazole ring has an envelope conformation with the C atom bearing the phenyl ring as the flap. The pyran ring has a half-chair conformation. In the chromeno ring system, the dihedral angle between the mean plane of the pyran ring and t...

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Autores principales: Suresh, G., Srinivasan, J., Bakthadoss, M., Aravindhan, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569831/
https://www.ncbi.nlm.nih.gov/pubmed/23424577
http://dx.doi.org/10.1107/S1600536813002511
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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(17)H(11)BrN(2)O(2), the five-membered isoxazole ring has an envelope conformation with the C atom bearing the phenyl ring as the flap. The pyran ring has a half-chair conformation. In the chromeno ring system, the dihedral angle between the mean plane of the pyran ring and the benzene ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno ring system and the isoxazole ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the phenyl ring. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane.
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spelling pubmed-35698312013-02-19 8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo­nitrile Suresh, G. Srinivasan, J. Bakthadoss, M. Aravindhan, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(11)BrN(2)O(2), the five-membered isoxazole ring has an envelope conformation with the C atom bearing the phenyl ring as the flap. The pyran ring has a half-chair conformation. In the chromeno ring system, the dihedral angle between the mean plane of the pyran ring and the benzene ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno ring system and the isoxazole ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the phenyl ring. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane. International Union of Crystallography 2013-01-31 /pmc/articles/PMC3569831/ /pubmed/23424577 http://dx.doi.org/10.1107/S1600536813002511 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.
8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo­nitrile
title 8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo­nitrile
title_full 8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo­nitrile
title_fullStr 8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo­nitrile
title_full_unstemmed 8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo­nitrile
title_short 8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo­nitrile
title_sort 8-bromo-3-phenyl-3a,4-dihydro-3h-chromeno[4,3-c]isoxazole-3a-carbo­nitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569831/
https://www.ncbi.nlm.nih.gov/pubmed/23424577
http://dx.doi.org/10.1107/S1600536813002511
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