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

Jasinski, Jerry P. and Butcher, Ray J. and Swamy, M. T. and Yathirajan, H. S. and Narayana, B. (2010) 6-{[(Benz­yl­oxy)carbon­yl]­­oxy}-2-methyl­hexa­hydro­pyrano[3,2-d][1,3]dioxin-7,8-diyl bis­­(chloro­acetate). Acta Crystallographica Section E, 66 (3). o572-o573. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S1600536810004356

Abstract

The asymmetric unit of the title compound, C20H22O10Cl2, 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.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: MUL SWAPNA user
Date Deposited: 09 Dec 2019 09:49
Last Modified: 09 Dec 2019 09:49
URI: http://eprints.uni-mysore.ac.in/id/eprint/10171

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