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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Bis[N-2-hy­droxy­ethyl,N-methyl­dithio­carbamato-κ2S,S)'-4-{[(pyridin-4-yl­methyl­idene)hydrazinyl­idene}meth­yl]pyridine-κN1)zinc(II): crystal structure and Hirshfeld surface analysis
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Bis[N-2-hy­droxy­ethyl,N-methyl­dithio­carbamato-κ2S,S)'-4-{[(pyridin-4-yl­methyl­idene)hydrazinyl­idene}meth­yl]pyridine-κN1)zinc(II): crystal structure and Hirshfeld surface analysis

机译:双[N-2-羟乙基,N-甲基二硫代氨基甲酸酯-κ2S,S)'-4-{[[(吡啶-4-基亚甲基)肼基}甲基]吡啶-κN1)锌(II):晶体结构和Hirshfeld表面分析

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摘要

In the title compound, [Zn(C4H8NOS2)2(C12H10N4)], the ZnII atom exists within a NS4 donor set defined by two chelating di­thio­carbamate ligands and a pyridyl-N atom derived from a terminally bound 4-pyridine­aldazine ligand. The distorted coordination geometry tends towards square-pyramidal with the pyridyl-N atom occupying the apical position. In the crystal, hydroxyl-O—H⋯O(hydrox­yl) and hydroxyl-O—H⋯N(pyrid­yl) hydrogen-bonding give rise to a supra­molecular double-chain along [1-10]; methyl-C—H⋯π(chelate ring) inter­actions help to consolidate the chain. The chains are connected into a three-dimensional architecture via pyridyl-C—H⋯O(hydrox­yl) inter­actions. In addition to the contacts mentioned above, the Hirshfeld surface analysis points to the significance of relatively weak π–π inter­actions between pyridyl rings [inter-centroid distance = 3.901 (3) Å].
机译:在标题化合物[Zn(C4H8NOS2)2(C12H10N4)]中,ZnII原子存在于由两个螯合二硫代氨基甲酸酯配体和衍生自末端结合的4-吡啶哒嗪配体的吡啶基-N原子所定义的NS4供体组内。扭曲的配位几何形状趋于正方形-金字塔形,其中吡啶基-N原子占据顶部位置。在晶体中,羟基-OH-O(H)O和羟基-OH-N(吡啶基)氢键形成沿[1-10]的超分子双链。甲基-C-H⋯π(螯合物环)相互作用有助于巩固链。链通过吡啶基-CH 3 O(羟基)相互作用连接成三维结构。除了上面提到的接触点,Hirshfeld表面分析还指出了吡啶环之间相对弱的π-π相互作用的重要性[质心间距离= 3.901(3)Å]。

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