6-(Benz{\-}yloxy)carbon{\-}yl{\-}oxy-2-methyl\-hexa\-hydro\-pyrano3,2-{\it d}1,3dioxin-7,8-diyl bis{\-}(chloro{\-}acetate)

Jasinski, Jerry P. and Butcher, Ray J. and Swamy, M. T. and Yathirajan, H. S. and Narayana, B. (2010) 6-(Benz{\-}yloxy)carbon{\-}yl{\-}oxy-2-methyl\-hexa\-hydro\-pyrano3,2-{\it d}1,3dioxin-7,8-diyl bis{\-}(chloro{\-}acetate). Acta Crystallographica Section E, 66 (3). O572-O573. ISSN 1600-5368

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


The asymmetric unit of the title compound, C\sb 20H\sb 22O\sb 10Cl\sb 2, consists of a 6-(benz{\-}yloxy)carbon{\-}yl{\-}oxygroup and two chloro\-acetate groups bonded to a 2-methyl\-hexa\-hydro\-pyrano3,2-{\it d}1,3dioxin 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){$^\circ$}. An extensive array of weak inter{\-}molecular C{---}H{$\cdots$}O hydrogen bonds links the mol{\-}ecules into chains along 011. Additional weak inter{\-}molecular C{---}H{$\cdots$}{$\pi$} inter{\-}actions occur between C{---}H atoms of the dioxin and benzyl rings and a nearby benzene ring. A MOPAC geometry optimization calculation {\it in vacuo} revealed that the dihedral angle between the mean planes of the dioxin and benzyl rings increased by 24.42 to 66.64{$^\circ$}, suggesting that the weak inter{\-}molecular hydrogen-bonding inter{\-}actions, in coord{\-}ination with weak C{---}H{$\cdots$}{$\pi$} inter{\-}actions, 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: LA manjunath user
Date Deposited: 15 Jul 2019 10:55
Last Modified: 15 Jul 2019 10:55
URI: http://eprints.uni-mysore.ac.in/id/eprint/5218

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