2-Oxo-2H-chromen-3-yl benzoate

摘要

In the title compound, C16H10O4, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.015 A? ) and the benzoate group is 83.58 (9), which compares to a value of 81.8 obtained from a DFT calculation at the B3LYP/6– 311 G(d,p) level. In the crystal, C—O and C—H interactions and aromatic – [CgCg = 3.7214 (14) and 3.7059 (14) A? ] stacking generate a three-dimensional network.