Crystal structure of 2-oxo-2H-chromen-3-yl propano-ate.

ABSTRACT: In the title compound, C₁₂H₁₀O₄, the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C-H⋯O hydrogen bonds generate inversion dimers and and C-H⋯π and π-π inter-actions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.

SUBMITTER: Ziki E 

PROVIDER: S-EPMC5095833 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature