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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2977679 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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