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HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE

DOI: 10.4067/S0717-97072011000100005

Keywords: crystal structure, coumarins, x-ray diffraction.

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Abstract:

the crystal structure of ethyl 7-hydroxy-2-oxo-2h-chromene-3-carboxylate monohydrate (1), c12h10o5.h2o, was established by x-ray crystallographic analysis. the molecule of the title compound is essentially planar except for the carboxylate substituent group. the crystal packing supramolecular array arises from hydrogen bonds and intermolecular c-h - o=c contacts of the organic molecules and solvent water molecules, with graph-set descriptor r24 (8), r21 (6), r44 ( 20) and c (5) motifs. the water molecules are involved as donors and acceptors. the hydrogen bond and intermolecular interaction network is reinforced by stacking of the sheet through p-p interactions.

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