title: Crystal structure and absolute configuration of (3aS,4S,5R,7aR)-2,2,7-trimethyl-3a,4,5,7a-tetra-hydro-1,3-benzodioxole-4,5-diol.
abstract: The absolute configuration of the title compound, C10H16O4, determined as 3aS,4S,5R,7aR on the basis of the synthetic pathway, was confirmed by X-ray diffraction. The mol-ecule 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, mol-ecules 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 inter-actions along [100], creating (001) sheets that inter-act only by weak van der Waals forces.
authors.affiliation: Cryssmat-Lab/Cátedra de Física/DETEMA, Facultad de Química, Universidad de la República, Montevideo, Uruguay ; Grupo INTERFASE, Universidad Industrial de Santander, Carrera 27, Calle 9, Ciudad Universitaria, Bucaramanga, Colombia.
authors.forename: Mario A
authors.initials: MA
authors.lastname: Macías
authors.affiliation: Cryssmat-Lab/Cátedra de Física/DETEMA, Facultad de Química, Universidad de la República, Montevideo, Uruguay.
authors.forename: Leopoldo
authors.initials: L
authors.lastname: Suescun
authors.affiliation: Departamento de Química Orgánica, Facultad de Química, Universidad de la República, Montevideo, Uruguay.
authors.forename: Enrique
authors.initials: E
authors.lastname: Pandolfi
authors.affiliation: Departamento de Química Orgánica, Facultad de Química, Universidad de la República, Montevideo, Uruguay.
authors.forename: Valeria
authors.initials: V
authors.lastname: Schapiro
authors.affiliation: Departamento de Química Orgánica, Facultad de Química, Universidad de la República, Montevideo, Uruguay.
authors.forename: Gaurao D
authors.initials: GD
authors.lastname: Tibhe
authors.affiliation: Cryssmat-Lab/Cátedra de Física/DETEMA, Facultad de Química, Universidad de la República, Montevideo, Uruguay.
authors.forename: Álvaro W
authors.initials: ÁW
authors.lastname: Mombrú
keywords: absolute configuration; chemoenzymatic strategy; chiral crystal; crystal structure; ep­oxy­cyclo­hexenones