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6-(4-甲氧基苯基)-2-氧代-4-苯基环己-3-烯羧酸乙酯

Ethyl 6-(4-meth-oxy-phen-yl)-2-oxo-4-phenyl-cyclo-hex-3-ene-carboxyl-ate.

作者信息

Fun Hoong-Kun, Farhadikoutenaei Abbas, Sarojini B K, Mohan B J, Narayana B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2788-9. doi: 10.1107/S1600536812036446. Epub 2012 Aug 25.

DOI:10.1107/S1600536812036446
PMID:22969665
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435819/
Abstract

The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol-ecules (A and B). The cyclo-hexene rings adopt slightly distorted sofa conformations in both mol-ecules. The dihedral angles between the benzene rings are 74.16 (13) and 71.85 (13)° in mol-ecules A and B, respectively. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a ribbon-like structure along the b axis. Weak C-H⋯π inter-actions are also observed.

摘要

标题化合物C₂₂H₂₂O₄的不对称单元由两个独立的分子（A和B）组成。在两个分子中，环己烯环均呈现出略微扭曲的沙发构象。分子A和B中苯环之间的二面角分别为74.16 (13)°和71.85 (13)°。在晶体中，弱的C—H⋯O氢键将分子沿b轴连接成带状结构。还观察到了弱的C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3435819/dfbb8ed1f7bc/e-68-o2788-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3435819/32fafc3a5f68/e-68-o2788-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3435819/dfbb8ed1f7bc/e-68-o2788-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3435819/32fafc3a5f68/e-68-o2788-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1cf4/3435819/dfbb8ed1f7bc/e-68-o2788-fig2.jpg

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