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

Kettmann V, Světlík J - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Pharmacy, Comenius University, Odbojarov 10, SK-83232 Bratislava, Slovakia.

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.

No MeSH data available.


Displacement ellipsoid plot of (I) with the labelling scheme for the non-H atoms, which are drawn with displacement ellipsoids at the 35% probability level.
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Fap1: Displacement ellipsoid plot of (I) with the labelling scheme for the non-H atoms, which are drawn with displacement ellipsoids at the 35% probability level.


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

Kettmann V, Světlík J - Acta Crystallogr Sect E Struct Rep Online (2009)

Displacement ellipsoid plot of (I) with the labelling scheme for the non-H atoms, which are drawn with displacement ellipsoids at the 35% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977679&req=5

Fap1: Displacement ellipsoid plot of (I) with the labelling scheme for the non-H atoms, which are drawn with displacement ellipsoids at the 35% probability level.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Pharmacy, Comenius University, Odbojarov 10, SK-83232 Bratislava, Slovakia.

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.

No MeSH data available.