Abstract
In the title compound, C30H28N2O6, the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl-ate group as the flap. The pyrazole ring [maximum deviation = 0.002 (2) Å] forms a dihedral angle of 13.2 (1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4 (1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7 (1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, C-H⋯O inter-actions generate supra-molecular chains propagating in [100] and these are connected into double layers that stack along the c-axis direction by weak π-π inter-actions between pyrazole rings [centroid-centroid distance = 3.801 (1) Å].
Highlights
The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being
The molecular conformation is stabilized by an intramolecular C—H O hydrogen bond, which generates an S(6) ring motif
C—H O interactions generate supramolecular chains propagating in [100] and these are connected into double layers that stack along the c-axis direction by weak – interactions between pyrazole rings [centroid–centroid distance = 3.801 (1) Å]
Summary
2007) and incorporated in numerous medicinal drugs as significant chromophores. They have shown to display antiviral, antitumoral, anti-anaphylactic, spasmolytic, diuretic and clotting activity (Horton et al, 2003). They can be used as photo-active materials, biodegradable agrochemicals and pigments. As part of our studies in this area, the crystal structure of the title compound has been determined and the results are presented here
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