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二水合双(2-羟基苯甲酸根-κO)双-[3-(4-甲氧基苯基)-4-(4-甲基苯基)-5-(2-吡啶基)-4H-1,2,4-三唑-κN,N]铜(II)

Bis(2-hy-droxy-benzoato-κO)bis-[3-(4-meth-oxy-phen-yl)-4-(4-methyl-phen-yl)-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]copper(II) dihydrate.

作者信息

Liu Yan, Wang Zuoxiang, Zhang Hai

机构信息

School of Chemistry and Engineering, Southeast University, Nanjing 211189, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m697. doi: 10.1107/S1600536811016126. Epub 2011 May 7.

Abstract

In the title complex, [Cu(C(7)H(5)O(3))(2)(C(21)H(18)N(4)O)(2)]·2H(2)O, the Cu(II) atom is located on a centre of inversion and exists in a tetra-gonally distorted octahedral geometry with a CuN(4)O(2) chromophore. The intra-molecular O-H⋯O hydrogen bond is highly strained due to the mol-ecular geometry and, as a result, is much shorter than expected. Inter-molecular C-H⋯O and C-H⋯O inter-actions are also observed.

摘要

在标题配合物[Cu(C₇H₅O₃)₂(C₂₁H₁₈N₄O)₂]·2H₂O中,Cu(II)原子位于对称中心,以CuN₄O₂发色团存在于四方畸变的八面体几何构型中。由于分子几何形状,分子内O—H⋯O氢键受到高度扭曲,因此比预期的要短得多。还观察到分子间的C—H⋯O和C—H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b466/3120391/a1815f834a30/e-67-0m697-fig1.jpg

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