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链状聚[[双-(硝酸根-κO,O')铜(II)]-μ-2,2'-(乙烷-1,2-二硫代)二-1,3,4-噻二唑-κN:N]

catena-Poly[[bis-(nitrato-κO,O')copper(II)]-μ-2,2'-(ethane-1,2-diyldithio)di-1,3,4-thia-diazole-κN:N].

作者信息

Huang Hua-Ming, Ju Feng-Yang, Wang Jian-Ge, Qin Jian-Hua

机构信息

College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 17;65(Pt 1):m80-1. doi: 10.1107/S1600536808041202.

DOI:10.1107/S1600536808041202
PMID:21581546
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967916/
Abstract

In the title compound, Cu(NO(3))(2)(C(6)H(6)N(4)S(4)), the Cu(II) atom, occupying a crystallographic inversion centre, is six-coordinated by two N atoms of two 2,2'-[1,2-ethane-diyl-bis-(thio)]bis-[1,3,4-thia-diazole] ligands in trans positions, and four O atoms from two symmetry-related opposite nitrate anions, which are asymmetrically bonded, resulting in a strong distorted octa-hedral geometry of the central atom. The ethane group is equally disordered over two sites via another inversion centre. The bridging bidentate 2,2'-[1,2-ethanediylbis(thio)]bis-[1,3,4-thia-diazole] ligands link the Cu(II) centres into a one-dimensional chain. The chains are inter-connected via inter-molecular S⋯O inter-actions [3.044 (4) and 3.084 (5) Å] and weak C-H⋯O hydrogen bonds, generating a three-dimensional supra-molecular structure.

摘要

在标题化合物[Cu(NO₃)₂(C₆H₆N₄S₄)]ₙ中，占据晶体学反演中心的Cu(II)原子由处于反位的两个2,2'-[1,2-乙二基双(硫代)]双-[1,3,4-噻二唑]配体的两个N原子以及来自两个对称相关的相对硝酸根阴离子的四个O原子六配位，这些硝酸根阴离子以不对称方式键合，导致中心原子具有强烈扭曲的八面体几何构型。乙烷基团通过另一个反演中心在两个位置上均等无序。桥连双齿的2,2'-[1,2-乙二基双(硫代)]双-[1,3,4-噻二唑]配体将Cu(II)中心连接成一维链。这些链通过分子间S⋯O相互作用[3.044 (4)和3.084 (5) Å]以及弱C-H⋯O氢键相互连接，形成三维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/acfd72f89fe8/e-65-00m80-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/f02c93d32e09/e-65-00m80-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/61beb0b241ea/e-65-00m80-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/f501784b25d7/e-65-00m80-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/acfd72f89fe8/e-65-00m80-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/f02c93d32e09/e-65-00m80-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/61beb0b241ea/e-65-00m80-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/f501784b25d7/e-65-00m80-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d01/2967916/acfd72f89fe8/e-65-00m80-fig4.jpg

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Acta Crystallogr C. 2004 Apr;60(Pt 4):m156-8. doi: 10.1107/S0108270104003749. Epub 2004 Mar 11.