2-Oxo-2H-chromen-7-yl 3-methylbutanoate

IUCrData Pub Date : 2025-02-01 DOI:10.1107/S2414314625001610

Akoun Abou , Hypolite Bazié , Ludovic Akonan , Abdoulaye Djandé , Pierre Francotte

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Abstract

In the crystal, molecules form centrosymmetric hydrogen-bonded dimers through pairwise C—H⋯O interactions, generating R₂²(8) and R₂²(18) loops that lie within the crystallographic ac plane and propagate along the [001] direction.

The title compound, C₁₄H₁₄O₄, was synthesized by O-acylation of umbelliferone with isovaleryl chloride in the presence of diethyl ether as a solvent and pyridine as a base. The side chain moiety i.e. the acetate fragment linking to the methylethyl group is almost orthogonal to the almost planar (r.m.s deviation = 0.020 Å) coumarin ring system, making an angle of 76.26 (7)°. In the crystal, the molecules form centrosymmetric dimers through pairwise C—H⋯O hydrogen bonds, generating R₂²(8) and R₂²(18) loops that lie within the crystallographic ac plane and propagate along the [001] direction.

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