首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Bis4-amino-35-bis­(pyridin-2-yl)-4H-124-triazole-κ2N2N3bis­(benzene-12-dicarb­oxy­lic acid-κO)copper(II) bis­(2-carb­oxy­benzoate)
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Bis4-amino-35-bis­(pyridin-2-yl)-4H-124-triazole-κ2N2N3bis­(benzene-12-dicarb­oxy­lic acid-κO)copper(II) bis­(2-carb­oxy­benzoate)

机译:双4-氨基-35-双­(吡啶-2-基)-4H-124-三唑-κ2ñ2N3双­(苯-12-二碳­氧基­酸-κO)铜(II)双­(2-碳­氧基­苯甲酸酯)

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摘要

In the complex cation of the title salt, [Cu(C12H10N6)2(C8H6O4)2](C8H5O4)2, the CuII atom, lying on an inversion center, exhibits a distorted octa­hedral 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-dicarb­oxy­lic acid ligands. In the crystal, the complex cations and the monodeprotonated 2-carb­oxy­benzoate 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 inter­actions 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]. Intra­molecular N—H⋯N and O—H⋯O hydrogen bonds are also observed.
机译:在标题盐的络合阳离子中,[Cu(C12H10N6)2(C8H6O4)2](C8H5O4)2处于倒置中心的Cu II 原子呈现出扭曲的八面体几何形状,由赤道平面中两个4-氨基-3,5-双(吡啶-2-基)-4H-1,2,4-三唑配体的四个N原子和两个苯-1,2-二羧酸的两个轴向O原子酸配体。在晶体中,络合阳离子和单去质子化的2-carb­oxy­苯甲酸根阴离子通过OHH和NHO氢键连接,沿着[100]形成一条带。三唑与苯环之间以及吡啶与苯环之间的π-π堆积相互作用将相邻的带进一步链接为三维排列[质心-质心距离= 3.6734(14)/3.9430(16)和3.8221(14)一个]。还观察到分子内NH 3 N和OH 3 O氢键。

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