2-Oxo-2H-chromen-4-yl 4-methyl-benzoate

Abstract

The asymmetric unit of the title compound, C17H12O4, consists of two independent mol-ecules. The chromen-2-one ring and the 4-methyl-benzoate side chain are inclined to one another at a dihedral angle of 64.79 (10)° in one mol-ecule and 88.3 (1)° in the other. In the crystal, mol-ecules form R 2 (2)(8) centrosymmetric dimers via C-H⋯O hydrogen bonds. These dimers are stacked by C-H⋯O hydrogen bonds, resulting in R 2 (2)(18) and R 3 (2)(16) ring motifs. π-π stacking inter-actions between two parallel chromen-2-one rings, with centroid-centroid distances of 3.743 (1) and 3.771 (1) Å, are also present.

Fig. 1.

The molecular structure of (I) showing the atomic labeling scheme with displacement ellipsoids drawn at the 50% probability level. H atoms are shown as spheres of arbitary radius.

Fig. 2.

Crystal packing, showing the R22(8) centrosymmetric dimers stacked by hydrogen bonds to form R22(18) and R32(16) ring motifs. Dashed lines indicate hydrogen bonds. H atoms not involved in hydrogen bonds have been omitted for clarity.

Fig. 3.

A view of the crystal packing, showing π···π stacking interactions (dashed lines). The green dots are centroids of rings. H atoms have been omitted for clarity.