双[μ-3-乙基-4-苯基-5-(2-吡啶基)-4H-1,2,4-三唑]双[二氯化铜(II)]
Bis[μ-3-ethyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole]bis-[dichloridocopper(II)].
作者信息
Wang Zuoxiang, Liu Chunyi, Zhang Xiaoming, Gong Xiaoning
机构信息
Ordered Matter Science Research Center, Southeast University, Nanjing 210096, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):m22. doi: 10.1107/S160053680804035X.
The asymmetric unit of the title compound, [Cu(2)Cl(4)(C(15)H(14)N(4))(2)], contains two halves of two centrosymmetric dinuclear mol-ecules, A and B. The conformations of the two crystallographically independent mol-ecules are slightly different: in A, the Cu⋯Cu separation is 4.174 (9) Å and the dihedral angle between the triazole and phenyl rings is 74.23 (11)°; these values are 4.137 (9) Å and 68.58 (13)°, respectively, in B. In each mol-ecule, the copper(II) ions have a distorted trigonal-bipyramidal coordination geometry with a CuCl(2)NN'N'' chromophore. The crystal packing exhibits weak inter-molecular C-H⋯Cl inter-actions.
标题化合物[Cu₂Cl₄(C₁₅H₁₄N₄)₂]的不对称单元包含两个中心对称双核分子的两个半部分，即A和B。两个晶体学独立分子的构象略有不同：在A中，Cu⋯Cu间距为4.174 (9) Å，三唑环和苯环之间的二面角为74.23 (11)°；在B中，这些值分别为4.137 (9) Å和68.58 (13)°。在每个分子中，铜(II)离子具有扭曲的三角双锥配位几何构型，带有一个CuCl₂NN'N''发色团。晶体堆积表现出弱的分子间C—H⋯Cl相互作用。
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