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(2E,6E)-2,6-双(4-甲基-亚苄基)环己-3-烯-1-酮

(2E,6E)-2,6-Bis(4-methyl-benzyl-idene)cyclo-hex-3-en-1-one.

作者信息

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

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o355. doi: 10.1107/S1600536811055632. Epub 2012 Jan 11.

Abstract

The title compound, C(22)H(20)O, shows an approximately planar cyclo-hexenone ring [maximum deviation = 0.069 (4) Å], with a disordered position of the C=C bond [ratio = 0.71 (2)/0.29 (2)]. The benzene rings of the 4-methyl-benzyl-idene units, attached in the 2- and 6-positions to the cyclo-hexenone ring, are rotated in the same direction by 28.6 (4) and 22.4 (4)°, with respect to the mean plane of the cyclo-hexenone ring [fraction 0.71 (2); maximum deviation = 0.06 (3) Å]. In the crystal, mol-ecules are packed in the manner of a distorted hexa-gonal rod packing with their long axes all aligned along [201]. A number of C-H⋯π inter-actions stablize the crystal structure.

摘要

标题化合物C(22)H(20)O呈现出一个近似平面的环己烯酮环[最大偏差 = 0.069 (4) Å],C=C键位置无序[比例 = 0.71 (2)/0.29 (2)]。连接在环己烯酮环2位和6位的4-甲基亚苄基单元的苯环相对于环己烯酮环的平均平面沿相同方向旋转28.6 (4)°和22.4 (4)°[比例0.71 (2);最大偏差 = 0.06 (3) Å]。在晶体中,分子以扭曲的六方棒堆积方式堆积,其长轴均沿[201]方向排列。一些C-H⋯π相互作用使晶体结构稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ceb4/3275037/4cd662aba801/e-68-0o355-fig1.jpg

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