Title of article :
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
Author/Authors :
Macías, Mario A. Departamento de Química - Universidad de los Andes, Colombia , Pandolfi, Enrique Departamento de Química Orgánica - Facultad de Química - Universidad de la República, Montevideo, Uruguay , Schapiro, Valeria Departamento de Química Orgánica - Facultad de Química - Universidad de la República, Montevideo, Uruguay , Silveira, Gustavo P. Departamento de Química Orgánica - Instituto de Química - Universidade Federal do Rio Grande do Sul, Brazil , Vilela, Guilherme D. Departamento de Química Orgánica - Instituto de Química - Universidade Federal do Rio Grande do Sul, Brazil , Suescun, Leopoldo Cryssmat-Lab/Cátedra de Física/DETEMA - Universidad de la República, Montevideo, Uruguay
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 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.
Keywords :
crystal structure , absolute configuration , homocoupling reaction , palladium-catalyzed , 1,3-benzodioxolyl
Journal title :
Acta Crystallographica Section E: Crystallographic Communications