首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Bis(μ-4-methyl­benzoato-κ2 O:O′)bis­aqua­(4-methyl­benzoato-κ2 OO′)zinc(II)–bis­(μ-4-methyl­benzoato-κ2 O:O′)bis­(4-methyl­benzoato-κO)(nicotinamide-κN)zinc(II)–water (1/1/2)
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Bis(μ-4-methyl­benzoato-κ2 O:O′)bis­aqua­(4-methyl­benzoato-κ2 OO′)zinc(II)–bis­(μ-4-methyl­benzoato-κ2 O:O′)bis­(4-methyl­benzoato-κO)(nicotinamide-κN)zinc(II)–water (1/1/2)

机译:双(μ-4-甲基苯并-κ2 O:O)bis aqua(4-methylbenzoatoato-κ2 OO)锌(II)-双(μ-4-甲基苯并-κ2 O:O)双(4-甲基苯并-κO)(烟酰胺-κN)锌(II)-水(1/1/2)

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摘要

The crystal structure of the title compound, [Zn2(C8H7O2)4(H2O)2]·[Zn2(C8H7O2)4(C6H6N2O)2]·2H2O, consists of two kinds of dinuclear ZnII complexes (complex A and complex B) and uncoordinated water mol­ecules. In complex A, [Zn2(C8H7O2)4(H2O)2], each Zn cation is chelated by a 4-methyl­benzoate (PMB) anion and coordinated by a water mol­ecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn2(C8H7O2)4(C6H6N2O)2], each ZnII cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetra­hedral geometry. Weak intra-mol­ecular π–π stacking between adjacent benzene rings is observed in complex B, the centroid–centroid distance being 3.710 (2) Å. Extensive O—H⋯O and N—H⋯O hydrogen bonding and weak C—H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%.
机译:标题化合物[Zn2(C8H7O2)4(H2O)2]·[Zn2(C8H7O2)4(C6H6N2O)2]·2H 2 的晶体结构由两种双核Zn组成 II 复合物(复合物A和B)和未配位的水分子。在复合物A中,[Zn 2 (C 8 H 7 O 2 4 ((H 2 O) 2 ],每个Zn阳离子被4-甲基苯甲酸酯(PMB)阴离子螯合并与水分子配位,并进一步被两个桥联三角-双锥体几何形状的PMB阴离子。在络合物B中,[Zn 2 (C 8 H 7 O 2 4 (C 6 H 6 N 2 O) 2 ],每个Zn II

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