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(2E)-3-(2-氟苯基)-1-(4-氟苯基)丙-2-烯-1-酮

(2E)-3-(2-Fluoro-phen-yl)-1-(4-fluoro-phen-yl)prop-2-en-1-one.

作者信息

Fun Hoong-Kun, Farhadikoutenaei Abbas, Narayana B, Nayak Prakash S, Sarojini B K

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2658. doi: 10.1107/S1600536812034411. Epub 2012 Aug 8.

DOI:10.1107/S1600536812034411
PMID:22969555
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435684/
Abstract

In the title compouund, C(15)H(10)F(2)O, the mol-ecule exists in an E conformation with respect to the C=C bond [1.3382 (16) Å]. The dihedral angle between the fluoro-substituted benzene rings is 6.80 (6)° and the whole mol-ecule is roughly planar (r.m.s. deviation for the non-H atoms = 0.069 Å). In the crystal, mol-ecules are linked by C-H⋯F and C-H⋯O inter-actions into sheets lying parallel to the bc plane.

摘要

在标题化合物C₁₅H₁₀F₂O中,分子相对于C=C键 [1.3382 (16) Å] 以E构型存在。氟取代苯环之间的二面角为6.80 (6)°,整个分子大致呈平面状(非H原子的均方根偏差 = 0.069 Å)。在晶体中,分子通过C—H⋯F和C—H⋯O相互作用连接成平行于bc平面的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e956/3435684/451cc9ee074e/e-68-o2658-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e956/3435684/0bd32c2247f2/e-68-o2658-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e956/3435684/451cc9ee074e/e-68-o2658-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e956/3435684/0bd32c2247f2/e-68-o2658-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e956/3435684/451cc9ee074e/e-68-o2658-fig2.jpg

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