Experimental observation of supramolecular carbonyl-π/π-π/π-carbonyl assemblies of CuII complex of iminodiacetate and dipyridylamine
Experimental observation of supramolecular carbonyl-π/π-π/π-carbonyl assemblies of CuII complex of iminodiacetate and dipyridylamine
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DOI：
10.1016/j.molstruc.2010.03.044
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发表时间：
2010-06-02
影响因子：
3.8
通讯作者：
Mukhopadhyay, Subrata
中科院分区：
文献类型：
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作者：
Seth, Saikat Kumar;Dey, Biswajit;Mukhopadhyay, Subrata
合成了一个单核的铜-Ⅱ配合物[Cu（IDA）（2，2 '-dypam）（H2O）]中心点H2O（1），其中H（2）IDA和2，2'-dypam分别为亚氨基二乙酸和2，2-二吡啶胺。Cu（II）原子具有不对称的拉长八面体配位类型4 + 1 + 1。X射线晶体学研究表明，配合物（1）在Cu-N的反式位上具有前所未有的fac-O-2 + N（顶端）IDA构象（类IDA）键，与Cu/Cu配合物的结构相关性相比，（IDA或IDA样）/N-杂环供体比1/1/2和密切相关的化合物fac-NO + O（顶端）IDA样构象和一个N-杂环供体在Cu-N（类IDA）债券。这些发现归因于分子识别过程中π-π堆积、C-H中心点π相互作用的影响。此外，2，2 ′-dypam的芳香部分与IDA配体的非配位羰基以羰基中心点π相互作用，产生了显著的超分子羰基-π/π-π/π-羰基相互作用。(C)2010爱思唯尔有限公司版权所有。
A mononuclear Cu-II complex [Cu(IDA)(2,2'-dypam)(H2O)]center dot H2O (1) where H(2)IDA and 2,2'-dypam are iminodiacetic acid and 2,2-dipyridylamine, respectively, has been synthesized and characterized by X-ray single crystal structure analysis. The Cu(II) atom exhibits an unsymmetrical elongated octahedral coordination type 4 + 1 + 1. X-ray crystallography reveals that complex (1) has an unprecedented fac-O-2 + N(apical) IDA conformation, in the trans-site of Cu-N (IDA-like) bond, in contrast with structural co-relations for complexes with Cu/(IDA or IDA-like)/N-heterocyclic donor ratio 1/1/2 and closely related compounds fac-NO + O(apical) IDA-like conformation and one N-heterocyclic donor in the trans-site to the Cu-N (IDA-like) bond. These findings are attributed to the influence of pi-pi stacking, C-H center dot center dot center dot pi interactions in the molecular recognition process. Moreover, the aromatic moieties of 2,2'-dypam are engaged in carbonyl center dot center dot center dot pi interaction with the non-coordinated carbonyl groups of IDA ligand and giving rise to a remarkable supramolecular carbonyl-pi/pi-pi/pi-carbonyl interactions. (C) 2010 Elsevier B.V. All rights reserved.