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6-{[(Benz­yloxy)carbon­yl]­oxy}-2-methyl­hexa­hydro­pyrano[3,2-d][1,3]dioxin-7,8-diyl bis­(chloro­acetate)

The asymmetric unit of the title compound, C(20)H(22)O(10)Cl(2), consists of a 6-{[(benz­yloxy)carbon­yl]­oxy}group and two chloro­acetate groups bonded to a 2-methyl­hexa­hydro­pyrano[3,2-d][1,3]dioxin group at the carbon 1,2 and 3 positions, respectively, of a pyrano ring fused to a dioxin ring. T...

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Detalles Bibliográficos
Autores principales: Jasinski, Jerry P., Butcher, Ray J., Swamy, M. T., Yathirajan, H. S., Narayana, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983506/
https://www.ncbi.nlm.nih.gov/pubmed/21580340
http://dx.doi.org/10.1107/S1600536810004356
Descripción
Sumario:The asymmetric unit of the title compound, C(20)H(22)O(10)Cl(2), consists of a 6-{[(benz­yloxy)carbon­yl]­oxy}group and two chloro­acetate groups bonded to a 2-methyl­hexa­hydro­pyrano[3,2-d][1,3]dioxin group at the carbon 1,2 and 3 positions, respectively, of a pyrano ring fused to a dioxin ring. The dihedral angle between the mean planes of the dioxin and benzyl rings is 42.2 (2)°. An extensive array of weak inter­molecular C—H⋯O hydrogen bonds links the mol­ecules into chains along [011]. Additional weak inter­molecular C—H⋯π inter­actions occur between C—H atoms of the dioxin and benzyl rings and a nearby benzene ring. A MOPAC geometry optimization calculation in vacuo revealed that the dihedral angle between the mean planes of the dioxin and benzyl rings increased by 24.42 to 66.64°, suggesting that the weak inter­molecular hydrogen-bonding inter­actions, in coord­ination with weak C—H⋯π inter­actions, influence the geometry of the resultant crystalline species and help to stabilize the crystal packing.