2-Oxo-2H-chromen-4-yl 4-tert-butyl-benzoate

Abstract

In the title mol-ecule, C(20)H(18)O(4), the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of the benzoate group is oriented at a dihedral angle of 60.70 (7)° with respect to the planar chromene ring [maximum deviation = 0.046 (2) Å]. The crystal structure features centrosymmetric R(2) (2)(8) dimers formed via C-H⋯O inter-actions, and these dimeric aggregates are connected by C-H⋯π inter-actions.

Fig. 1.

The molecular structure of the title compund, showing displacement ellipsoids at the 50% probability level. H atoms are shown as spheres of arbitrary radius.

Fig. 2.

Crystal packing, viewed down the a axis, showing centrosymmetric dimers linked by C—H···π interactions. The green dots are centroids of rings and the dashed lines indicate hydrogen bonds. H atoms not involved in hydrogen bonds have been omitted for clarity.

Fig. 3.

Crystal packing, showing parallel centrosymmetric dimers linked by C═O···π interactions. The green dots are centroids of rings and the dashed lines indicate hydrogen bonds and O···π contacts. H atoms not involved in hydrogen bonds have been omitted for clarity.