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Crystal structure and absolute configuration of (3aS,4S,5R,7aR)-2,2,7-trimethyl-3a,4,5,7a-tetra­hydro-1,3-benzodioxole-4,5-diol

The absolute configuration of the title compound, C(10)H(16)O(4), determined as 3aS,4S,5R,7aR on the basis of the synthetic pathway, was confirmed by X-ray diffraction. The mol­ecule contains a five- and a six-membered ring that adopt twisted and envelope conformations, respectively. The dihedral an...

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Detalles Bibliográficos
Autores principales: Macías, Mario A., Suescun, Leopoldo, Pandolfi, Enrique, Schapiro, Valeria, Tibhe, Gaurao D., Mombrú, Álvaro W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555417/
https://www.ncbi.nlm.nih.gov/pubmed/26396837
http://dx.doi.org/10.1107/S2056989015014590
Descripción
Sumario:The absolute configuration of the title compound, C(10)H(16)O(4), determined as 3aS,4S,5R,7aR on the basis of the synthetic pathway, was confirmed by X-ray diffraction. The mol­ecule contains a five- and a six-membered ring that adopt twisted and envelope conformations, respectively. The dihedral angle between the mean planes of the rings is 76.80 (11)° as a result of their cis-fusion. In the crystal, mol­ecules are linked by two pairs of O—H⋯O hydrogen bonds, forming chains along [010]. These chains are further connected by weaker C—H⋯O inter­actions along [100], creating (001) sheets that inter­act only by weak van der Waals forces.