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Crystal structure of 3-hy-droxy-2-(4-hy-droxy-3-meth-oxy-phenyl-methyl)-5,5-di-methyl-cyclo-hex-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 intra-molecular O-H?O hydrogen bond is observed in the guaiacol residue. In the crystal, mol-ecules 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.

SUBMITTER: Stikute A 

PROVIDER: S-EPMC6002819 | biostudies-other | 2018 Jun

REPOSITORIES: biostudies-other

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Crystal structure of 3-hy-droxy-2-(4-hy-droxy-3-meth-oxy-phenyl-methyl)-5,5-di-methyl-cyclo-hex-2-enone.

Stikute Agnese A   Skestere Karina K   Mierina Inese I   Mishnev Anatoly A   Jure Mara M  

Acta crystallographica. Section E, Crystallographic communications 20180515 Pt 6

In the title compound, C<sub>16</sub>H<sub>20</sub>O<sub>4</sub>, a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intra-molecular O-H⋯O hydrogen bond is observed in the guaiacol residue. In the crystal, mol-ecules are assembled into a sheet structure parallel to the <i>ab</i> plane <i>via</i> O-H⋯O hydrogen bonds. The hydrogen-bond pattern is described by an <i>R</i><sub>4</sub><sup>4</sup>(28) graph-set  ...[more]