1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione

In its crystal structure, the title compound, C(9)H(7)NO(3), forms π-stacked dimers, with a centroid–centroid distance of 3.475 (5) Å between the benzenoid and the 2,4 dicarbonyl oxazine rings. These dimers then form staircase-like linear chains through further π-stacking between the benzenoid rings...

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Detalles Bibliográficos
Autores principales: Deifel, Nicholas P., Cherney, Emily, Hunt, David A., Chan, Benny C.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983695/
https://www.ncbi.nlm.nih.gov/pubmed/21580413
http://dx.doi.org/10.1107/S1600536810006094
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author Deifel, Nicholas P.
Cherney, Emily
Hunt, David A.
Chan, Benny C.
author_facet Deifel, Nicholas P.
Cherney, Emily
Hunt, David A.
Chan, Benny C.
author_sort Deifel, Nicholas P.
collection PubMed
description In its crystal structure, the title compound, C(9)H(7)NO(3), forms π-stacked dimers, with a centroid–centroid distance of 3.475 (5) Å between the benzenoid and the 2,4 dicarbonyl oxazine rings. These dimers then form staircase-like linear chains through further π-stacking between the benzenoid rings [centroid–centroid distance of 3.761 (2) Å]. The methyl-H atoms are disordered due to rotation about the C—N bond and were modeled with equal occupancy.
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spelling pubmed-29836952010-12-30 1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione Deifel, Nicholas P. Cherney, Emily Hunt, David A. Chan, Benny C. Acta Crystallogr Sect E Struct Rep Online Organic Papers In its crystal structure, the title compound, C(9)H(7)NO(3), forms π-stacked dimers, with a centroid–centroid distance of 3.475 (5) Å between the benzenoid and the 2,4 dicarbonyl oxazine rings. These dimers then form staircase-like linear chains through further π-stacking between the benzenoid rings [centroid–centroid distance of 3.761 (2) Å]. The methyl-H atoms are disordered due to rotation about the C—N bond and were modeled with equal occupancy. International Union of Crystallography 2010-02-20 /pmc/articles/PMC2983695/ /pubmed/21580413 http://dx.doi.org/10.1107/S1600536810006094 Text en © Deifel et al. 2010 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
Deifel, Nicholas P.
Cherney, Emily
Hunt, David A.
Chan, Benny C.
1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione
title 1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione
title_full 1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione
title_fullStr 1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione
title_full_unstemmed 1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione
title_short 1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione
title_sort 1-methyl-4h-3,1-benzoxazine-2,4(1h)dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983695/
https://www.ncbi.nlm.nih.gov/pubmed/21580413
http://dx.doi.org/10.1107/S1600536810006094
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AT cherneyemily 1methyl4h31benzoxazine241hdione
AT huntdavida 1methyl4h31benzoxazine241hdione
AT chanbennyc 1methyl4h31benzoxazine241hdione

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