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

ABSTRACT: In the title compound, C(11)H(10)N(2)O(2), a potential inhibitor of the cyclo-oxygenase-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 mol-ecule 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.

SUBMITTER: Kettmann V

PROVIDER: S-EPMC2977679 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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

Kettmann Viktor V Světlík Jan J

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

In the title compound, C(11)H(10)N(2)O(2), a potential inhibitor of the cyclo-oxygenase-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 mol-ecule 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. ...[more]

PMID: 21584022

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