Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone

Abstract

In the title compound, C16H20O4, a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intramolecular O—H...O hydrogen bond is observed in the guaiacol residue. In the crystal, molecules are assembled into a sheet structure parallel to the ab plane via O—H...O hydrogen bonds. The hydrogen-bond pattern is described by an R44(28) graph-set motif. The sheets are further linked by C—H...O hydrogen bonds into a three-dimensional network.

Keywords

• crystal structure
• arylmethyl dimedone
• arylmethyl 1,3-cyclohexanedione
• arylmethyl 3-hydroxycyclohex-2-enone