双[4-氨基-3,5-双-(吡啶-2-基)-4H-1,2,4-三唑-κN,N]双-(苯-1,2-二羧酸-κO)铜(II) 双-(2-羧基苯甲酸酯)
Bis[4-amino-3,5-bis-(pyridin-2-yl)-4H-1,2,4-triazole-κN,N]bis-(benzene-1,2-dicarb-oxy-lic acid-κO)copper(II) bis-(2-carb-oxy-benzoate).
作者信息
Yan Yan, Yu Wen-Jing, Chen Jing
机构信息
College of Chemistry, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, Tianjin Normal University, Tianjin 300387, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):m129-30. doi: 10.1107/S1600536812000128. Epub 2012 Jan 11.
In the complex cation of the title salt, Cu(C(12)H(10)N(6))(2)(C(8)H(6)O(4))(2)(2), the Cu(II) atom, lying on an inversion center, exhibits a distorted octa-hedral geometry defined by four N atoms from two 4-amino-3,5-bis-(pyridin-2-yl)-4H-1,2,4-triazole ligands in the equatorial plane and two axial O atoms from two benzene-1,2-dicarb-oxy-lic acid ligands. In the crystal, the complex cations and the monodeprotonated 2-carb-oxy-benzoate anions are connected by O-H⋯O and N-H⋯O hydrogen bonds, forming a tape along [100]. Adjacent tapes are further linked into a three-dimensional arrangement via π-π stacking inter-actions between the triazole and benzene rings and between the pyridine and benzene rings [centroid-centroid distances = 3.6734 (14)/3.9430 (16) and 3.8221 (14) Å]. Intra-molecular N-H⋯N and O-H⋯O hydrogen bonds are also observed.
在标题盐的复杂阳离子Cu(C₁₂H₁₀N₆)₂(C₈H₆O₄)₂₂中，位于对称中心的Cu(II)原子呈现出一种扭曲的八面体几何构型，其赤道平面由来自两个4-氨基-3,5-双-(吡啶-2-基)-4H-1,2,4-三唑配体的四个N原子定义，轴向由来自两个苯-1,2-二羧酸配体的两个O原子定义。在晶体中，复杂阳离子和单去质子化的2-羧基苯甲酸阴离子通过O-H⋯O和N-H⋯O氢键相连，沿[100]方向形成一条带。相邻的带通过三唑环与苯环以及吡啶环与苯环之间的π-π堆积相互作用进一步连接成三维排列[质心-质心距离 = 3.6734 (14)/3.9430 (16)和3.8221 (14) Å]。还观察到分子内的N-H⋯N和O-H⋯O氢键。
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