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[二(4-溴苄叉基)-2,2-二甲基丙烷-κN,N']碘化亚铜

[N,N'-Bis(4-bromo-benzyl-idene)-2,2-di-methyl-propane-κN,N']iodidocopper(I).

作者信息

Kia Reza, Fun Hoong-Kun, Kargar Hadi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 18;65(Pt 3):m289. doi: 10.1107/S1600536809005078.

DOI:10.1107/S1600536809005078
PMID:21582073
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968488/
Abstract

The title compound, [CuI(C(19)H(20)Br(2)N(2))], lies across a crystallographic mirror plane. The coordination around the copper centre is distorted trigonal planar, with a bite angle of 94.7 (3)°. A six-membered chelate ring in a chair conformation is formed by the coordination of the imine N atoms of the bidentate ligand to the Cu(I) atom. This conformation is required by the crystallographic mirror symmetry. The inter-planar angle between the benzene rings is 74.85 (19)°. The crystal structure exhibits weak inter-molecular C-H⋯π inter-actions, which link the mol-ecules into chains along the b axis.

摘要

标题化合物[CuI(C₁₉H₂₀Br₂N₂)]位于一个晶体学镜面平面上。铜中心周围的配位呈扭曲的三角平面,咬角为94.7 (3)°。双齿配体的亚胺N原子与Cu(I)原子配位形成了一个椅式构象的六元螯合环。这种构象是由晶体学镜面对称性所要求的。苯环之间的面间角为74.85 (19)°。晶体结构表现出弱的分子间C—H⋯π相互作用,这些相互作用将分子沿b轴连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feb4/2968488/e1b9dfb11040/e-65-0m289-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feb4/2968488/7a59a1d14c25/e-65-0m289-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feb4/2968488/e1b9dfb11040/e-65-0m289-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feb4/2968488/7a59a1d14c25/e-65-0m289-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feb4/2968488/e1b9dfb11040/e-65-0m289-fig2.jpg

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本文引用的文献

1
[N,N'-Bis(4-chlorobenzylidene)-2,2-dimethylpropane-1,3-diamine-κN,N']iodidocopper(I).[双(4-氯亚苄基)-2,2-二甲基丙烷-1,3-二胺-κN,N']碘化亚铜
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 17;65(Pt 2):m197. doi: 10.1107/S160053680900107X.
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Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
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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.