2-Methyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one

In the title compound, C(11)H(10)N(2)O(2), a potential inhibitor of the cyclo­oxygenase-2 isoenzyme, the pyrazoline ring exists in a flat-envelope conformation while the puckering of the central oxazine ring is more severe. As a result, the mol­ecule as a whole is non-planar. The formal sp (3) pyraz...

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Detalles Bibliográficos
Autores principales: Kettmann, Viktor, Světlík, Jan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977679/
https://www.ncbi.nlm.nih.gov/pubmed/21584022
http://dx.doi.org/10.1107/S1600536809012173
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author Kettmann, Viktor
Světlík, Jan
author_facet Kettmann, Viktor
Světlík, Jan
author_sort Kettmann, Viktor
collection PubMed
description In the title compound, C(11)H(10)N(2)O(2), a potential inhibitor of the cyclo­oxygenase-2 isoenzyme, the pyrazoline ring exists in a flat-envelope conformation while the puckering of the central oxazine ring is more severe. As a result, the mol­ecule as a whole is non-planar. The formal sp (3) pyrazoline N atom is sp (2) hybridized, with the lone-pair electrons delocalized through conjugation with the carbonyl group rather than the double bond of the pyrazoline ring.
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spelling pubmed-29776792010-12-30 2-Methyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one Kettmann, Viktor Světlík, Jan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(10)N(2)O(2), a potential inhibitor of the cyclo­oxygenase-2 isoenzyme, the pyrazoline ring exists in a flat-envelope conformation while the puckering of the central oxazine ring is more severe. As a result, the mol­ecule as a whole is non-planar. The formal sp (3) pyrazoline N atom is sp (2) hybridized, with the lone-pair electrons delocalized through conjugation with the carbonyl group rather than the double bond of the pyrazoline ring. International Union of Crystallography 2009-04-08 /pmc/articles/PMC2977679/ /pubmed/21584022 http://dx.doi.org/10.1107/S1600536809012173 Text en © Kettmann and Světlík 2009 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
Kettmann, Viktor
Světlík, Jan
2-Methyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one
title 2-Methyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one
title_full 2-Methyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one
title_fullStr 2-Methyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one
title_full_unstemmed 2-Methyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one
title_short 2-Methyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one
title_sort 2-methyl-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-5-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977679/
https://www.ncbi.nlm.nih.gov/pubmed/21584022
http://dx.doi.org/10.1107/S1600536809012173
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