Journal of the Chilean Chemical Society
versión ISSN 0717-9707
GALDAMEZ, ANTONIO; GARCIA-BELTRAN, OLIMPO y CASSELS, BRUCE K. HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE. J. Chil. Chem. Soc. [online]. 2011, vol.56, n.1, pp. 546-548. ISSN 0717-9707. doi: 10.4067/S0717-97072011000100005.
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.
Palabras clave : Crystal structure; Coumarins; X-ray diffraction.