Crystal structure and absolute configuration of (3aR,3'aR,7aS,7'aS)-2,2,2',2'-tetra-methyl-3a,6,7,7a,3'a,6',7',7'a-octa-hydro-4,4'-bi[1,3-benzodioxol-yl], obtained from a Pd-catalyzed homocoupling reaction.

ABSTRACT: The absolute configuration, i.e. (3aR,3'aR,7aS,7'aS), of the title compound, C₁₈H₂₆O₄, synthesized via a palladium-catalyzed homocoupling reaction, was determined on the basis of the synthetic pathway and was confirmed by X-ray diffraction. The homocoupled mol-ecule is formed by two chemically identical moieties built up from two five- and six-membered fused rings. The supra-molecular assembly is controlled mainly by C-H⋯O inter-actions that lead to the formation of hydrogen-bonded chains of mol-ecules along the [001] direction, while weak dipolar inter-actions and van der Waals forces hold the chains together in the crystal structure.

SUBMITTER: Macias MA 

PROVIDER: S-EPMC5209778 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature