Synthesis, characterization, crystal structure and Hirshfeld surface analysis of ethyl 2-(2-oxo-2H-chromen-4-yloxy) acetate

The title compound ethyl 2-(2-oxo-2H-chromen-4-yloxy) acetate has been synthesized and characterized by NMR, IR and mass spectral studies, and finally the structure was confirmed by single crystal X-ray diffraction studies. The title compound C13H12O5 crystallizes in the orthorhombic space group P212121 with a single molecule in the asymmetric unit and the unit cell parameters, a = 5.1037(7) Å, b = 7.9867(10) Å, c = 28.300(4) Å, and Z = 4. The crystal structure of the title compound exhibit several C-H •••O intermolecular interactions resulting in a three dimensional architecture. Further, the Hirshfeld surface analysis reveals the nature of intermolecular contacts. The fingerprint plot provides the information about the percentage contribution which clearly states that H…H (37.4%) bonding appears to be a major contributor in the crystal packing, whereas the O…H (33.2%), C…H (20.2%) from the intermolecular contacts to the surface.

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