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4-二茂铁基苯酚

4-ferrocenylphenol.

作者信息

Nyamori Vincent O, Bala Muhammad D

机构信息

School of Chemistry, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 29;64(Pt 12):m1630. doi: 10.1107/S1600536808039524.

DOI:10.1107/S1600536808039524
PMID:21581220
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960122/
Abstract

The title compound, [Fe(C(5)H(5))(C(11)H(9)O)], is of inter-est as a precursor to the synthesis of cheap ferrocene-based liquid crystals. The -OH substituent only results in weak C-H⋯O weak inter-actions between one of cyclo-penta-dienyl (Cp) ring H atoms and the O atom of a neighbouring mol-ecule with a distance of 3.308 (3) Å between the donor and acceptor atoms. The inter-planar angle between the Cp and benzene rings is 13.0 (4)°. There are also weak O-H⋯π and C-H⋯π inter-actions involving the unsubstituted Cp and the benzene ring, respectively.

摘要

标题化合物[Fe(C₅H₅)(C₁₁H₉O)]作为合成廉价的基于二茂铁的液晶的前体具有重要意义。-OH取代基仅导致环戊二烯基(Cp)环的一个H原子与相邻分子的O原子之间形成弱的C-H⋯O相互作用,供体和受体原子之间的距离为3.308 (3) Å。Cp环和苯环之间的平面夹角为13.0 (4)°。还分别存在涉及未取代的Cp和苯环的弱O-H⋯π和C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/73ee/2960122/5023c859de2c/e-64-m1630-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/73ee/2960122/5023c859de2c/e-64-m1630-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/73ee/2960122/5023c859de2c/e-64-m1630-fig1.jpg

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本文引用的文献

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3
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.