6-{[(Benz-yloxy)carbon-yl]-oxy}-2-methyl-hexa-hydro-pyrano[3,2-d][1,3]dioxin-7,8-diyl bis-(chloro-acetate).
6-{[(Benz-yloxy)carbon-yl]-oxy}-2-methyl-hexa-hydro-pyrano[3,2-d][1,3]dioxin-7,8-diyl bis-(chloro-acetate).
复制标题
6-{[(苯甲氧基)碳基]-氧基}-2-甲基-六氢-吡喃并[3,2-d][1,3]二恶英-7,8-二基双-(氯-
DOI：
10.1107/s1600536810004356
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发表时间：
2010
期刊：
影响因子：
--
通讯作者：
Narayana,B
中科院分区：
文献类型：
--
作者：
Jasinski,JerryP;Butcher,RayJ;Swamy,MT;Yathirajan,HS;Narayana,B
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.
