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(4Z,6Z)-4,6-双(4-甲氧基苄叉基)-2,2-二甲基-1,3-二氧杂环己烷-5-酮

(4Z,6Z)-4,6-Bis(4-meth-oxy-benzyl-idene)-2,2-dimethyl-1,3-dioxan-5-one.

作者信息

Mojtahedi Mohammad M, Massa Werner, Abaee M Saeed, Mesbah A Wahid

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o356. doi: 10.1107/S1600536812000372. Epub 2012 Jan 11.

Abstract

The title compound, C(22)H(22)O(5), crystallizes with two independent mol-ecules in the asymmetric unit, both of which possess pseudo-C(s) symmetry. The central 1,3-dioxanone rings have envelope conformations, with the C atom bearing the two methyl groups at the flap. The benzene rings of the meth-oxy-benzyl-idene units, attached in the 4- and 6-positions on the central 1,3-dioxanone rings, are tilted in the same direction with dihedral angles varying between 8.2 (1) and 18.1 (1)°. The crystal packing is influenced by π-stacking inter-actions of the parallel displaced type [centroid-centroid distance of 3.723 (1) Å for mol-ecule 1 and 3.884 (1) Å for mol-ecule 2, with ring slippages of 1.432 and 1.613 Å, respectively] and the T-shaped type, with the long mol-ecular axes all aligned along [010].

摘要

标题化合物C(22)H(22)O(5)在不对称单元中结晶出两个独立的分子,二者均具有拟C(s)对称性。中心的1,3 - 二氧杂环己酮环呈信封式构象,在瓣上带有两个甲基的C原子。连接在中心1,3 - 二氧杂环己酮环4位和6位的甲氧基亚苄基单元的苯环向同一方向倾斜,二面角在8.2 (1)°至18.1 (1)°之间变化。晶体堆积受平行位移型π堆积相互作用[分子1的质心 - 质心距离为3.723 (1) Å,分子2为3.884 (1) Å,环滑移分别为1.432和1.613 Å]以及T型相互作用影响,所有长分子轴均沿[010]排列。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64b9/3275038/7b620f86f7a4/e-68-0o356-fig1.jpg

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