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高氯酸[2,9-双(3,5-二甲基-1H-吡唑-1-基-κN)-1,10-菲咯啉-κN,N'](甲醇-κO)(亚硝酸根-κO,O')镉(II)

[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N'](methanol-κO)(nitrito-κO,O')cadmium(II) perchlorate.

作者信息

Liu Li Zhen, Chi Yan Hui, Du Hua, Shi Jing Min

机构信息

College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 12;67(Pt 3):m330. doi: 10.1107/S1600536811003813.

DOI:10.1107/S1600536811003813
PMID:21522261
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051935/
Abstract

In the title complex, [Cd(NO(2))(C(22)H(20)N(6))(CH(3)OH)]ClO(4), the Cd(II) ion is in a distorted penta-gonal-bipyramidal CdN(4)O(3) coordination geometry. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline ring system are 4.37 (19) and 5.84 (21)°. In the crystal, the anions and cations are connected by inter-molecular O-H⋯O hydrogen bonding, while pairs of weak inter-molecular C-H⋯O hydrogen bonds connect the cations into centrosymmetric dimers. In addition, there is a π-π stacking inter-action involving two symmetry-related benzene rings, with a centroid-centroid distance of 3.437 (3) Å.

摘要

在标题配合物[Cd(NO₂)(C₂₂H₂₀N₆)(CH₃OH)]ClO₄中，Cd(II)离子处于扭曲的五角双锥CdN₄O₃配位几何构型。吡唑环的平均平面与菲咯啉环系统之间形成的二面角分别为4.37 (19)°和5.84 (21)°。在晶体中，阴离子和阳离子通过分子间O—H⋯O氢键相连，而成对的弱分子间C—H⋯O氢键将阳离子连接成中心对称的二聚体。此外，存在涉及两个对称相关苯环的π - π堆积相互作用，质心间距为3.437 (3) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c703/3051935/915f69f9004a/e-67-0m330-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c703/3051935/915f69f9004a/e-67-0m330-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c703/3051935/915f69f9004a/e-67-0m330-fig1.jpg

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本文引用的文献

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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.