2-Oxo-2 H-chromen-7-yl tert-butyl-acetate

Abstract

In the title compound, C₁₅H₁₆O₄, the dihedral angle between the 2H-chromen-2-one ring system and the tert-butyl-acetate moiety is 72.72 (9)°. In the crystal, the mol-ecules are connected through C-H⋯O hydrogen bonds, generating C(6) chains and R ₂ ²(20) loops that are reinforced by weak aromatic π-π stacking inter-actions. The H⋯H, H⋯O/O⋯H, H⋯C/C⋯H and C⋯C contacts contribute 50.6, 29.1, 8.5 and 6.8%, respectively, to the Hirshfeld surface.

Keywords: Hirshfeld surface; coumarin; crystal structure; hydrogen bond.

Figure 1

The mol­ecular structure of (I) with displacement ellipsoids drawn at the 50% probability level.

Figure 2

Part of the crystal of (I) showing the formation of an undulating network along the b axis [C(6) and (20) motifs]. Dashed lines indicate hydrogen bonds.

Figure 3

(a), (b) Hirshfeld surface of (I) mapped over d_norm, (c) overall two-dimensional fingerprint plot of and those delineated into contributions from different contacts: (d) H⋯H, (d) H⋯C/C⋯H and (e) H⋯O/O⋯H.