（E）-1-{4-[双（4-氟苯基）甲基]哌嗪-1-基}-3-（4-乙氧基苯基）丙-2-烯-1-酮
(E)-1-{4-[Bis(4-fluoro-phen-yl)meth-yl]piperazin-1-yl}-3-(4-eth-oxy-phen-yl)prop-2-en-1-one.
作者信息
Zhong Yan, Zhang Xiaoping, Wu Bin
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3342. doi: 10.1107/S160053681104801X. Epub 2011 Nov 16.
Abstract
In the title mol-ecule, C(28)H(28)F(2)N(2)O(2), the ethene bond exhibits an E conformation and the piperazine ring adopts a chair conformation. The amide-N atom of the piperazine ring is almost planar (bond-angle sum = 358.8°) whereas the other N atom is clearly pyramidal (bond-angle sum = 330.5°). The dihedral angle between the fluoro-benzene rings is 76.36 (17)°. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R(2) (2)(22) loops.
摘要
在标题分子C(28)H(28)F(2)N(2)O(2)中，乙烯键呈E构象，哌嗪环呈椅式构象。哌嗪环的酰胺氮原子几乎呈平面状（键角总和 = 358.8°），而另一个氮原子明显呈锥形（键角总和 = 330.5°）。氟苯环之间的二面角为76.36 (17)°。在晶体中，由成对的C-H⋯O氢键连接的反演二聚体形成R(2) (2)(22)环。
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