Ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate

In the title compound, C(21)H(16)BrNO(3), the mean planes of the anthracene tricycle and isoxazole ring are inclined to each other at a dihedral angle of 72.12 (7)°. The carb­oxy group is slightly out of the isoxazole mean plane, with a maximum deviation of 0.070 (5) Å for the carbonyl O atom. In th...

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Autores principales: Li, Chun, Campbell, Michael J., Weaver, Matthew J., Duncan, Nathan S., Hunting, Janet L., Natale, Nicholas R.
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/PMC4004437/
https://www.ncbi.nlm.nih.gov/pubmed/24860293
http://dx.doi.org/10.1107/S1600536813031395
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author Li, Chun
Campbell, Michael J.
Weaver, Matthew J.
Duncan, Nathan S.
Hunting, Janet L.
Natale, Nicholas R.
author_facet Li, Chun
Campbell, Michael J.
Weaver, Matthew J.
Duncan, Nathan S.
Hunting, Janet L.
Natale, Nicholas R.
author_sort Li, Chun
collection PubMed
description In the title compound, C(21)H(16)BrNO(3), the mean planes of the anthracene tricycle and isoxazole ring are inclined to each other at a dihedral angle of 72.12 (7)°. The carb­oxy group is slightly out of the isoxazole mean plane, with a maximum deviation of 0.070 (5) Å for the carbonyl O atom. In the crystal, pairs of weak C—H⋯O hydrogen bonds link the mol­ecules into dimers, and weak C—H⋯N inter­actions further link these dimers into corrugated layers parallel to the bc plane.
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spelling pubmed-40044372014-05-23 Ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate Li, Chun Campbell, Michael J. Weaver, Matthew J. Duncan, Nathan S. Hunting, Janet L. Natale, Nicholas R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(16)BrNO(3), the mean planes of the anthracene tricycle and isoxazole ring are inclined to each other at a dihedral angle of 72.12 (7)°. The carb­oxy group is slightly out of the isoxazole mean plane, with a maximum deviation of 0.070 (5) Å for the carbonyl O atom. In the crystal, pairs of weak C—H⋯O hydrogen bonds link the mol­ecules into dimers, and weak C—H⋯N inter­actions further link these dimers into corrugated layers parallel to the bc plane. International Union of Crystallography 2013-11-23 /pmc/articles/PMC4004437/ /pubmed/24860293 http://dx.doi.org/10.1107/S1600536813031395 Text en © Li 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
Li, Chun
Campbell, Michael J.
Weaver, Matthew J.
Duncan, Nathan S.
Hunting, Janet L.
Natale, Nicholas R.
Ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate
title Ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate
title_full Ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate
title_fullStr Ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate
title_full_unstemmed Ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate
title_short Ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate
title_sort ethyl 3-(10-bromo­anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4004437/
https://www.ncbi.nlm.nih.gov/pubmed/24860293
http://dx.doi.org/10.1107/S1600536813031395
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