6533b7dcfe1ef96bd127343e
RESEARCH PRODUCT
Crystal structure and absolute configuration of (3aR,3′aR,7aS,7′aS)-2,2,2′,2′-tetramethyl-3a,6,7,7a,3′a,6′,7′,7′a-octahydro-4,4′-bi[1,3-benzodioxolyl], obtained from a Pd-catalyzed homocoupling reaction
Leopoldo SuescunGuilherme D. VilelaGustavo Pozza SilveiraEnrique PandolfiValeria SchapiroMario A. Macíassubject
crystal structureStereochemistryCrystal structure010402 general chemistry01 natural sciencesCatalysislcsh:Chemistrysymbols.namesakepalladium-catalyzedGeneral Materials Sciencebiology13-benzodioxolyl010405 organic chemistryChemistryAbsolute configurationGeneral ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesabsolute configurationCrystallographylcsh:QD1-999homocoupling reactionsymbolsTetravan der Waals forcedescription
The absolute configuration,i.e.(3aR,3′aR,7aS,7′aS), of the title compound, C18H26O4, synthesizedviaa palladium-catalyzed homocoupling reaction, was determined on the basis of the synthetic pathway and was confirmed by X-ray diffraction. The homocoupled molecule is formed by two chemically identical moieties built up from two five- and six-membered fused rings. The supramolecular assembly is controlled mainly by C—H...O interactions that lead to the formation of hydrogen-bonded chains of molecules along the [001] direction, while weak dipolar interactions and van der Waals forces hold the chains together in the crystal structure.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-01-01 | Acta Crystallographica Section E Crystallographic Communications |