首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of bis(μ-{2-(5-bromo-2-oxido­benzyl­idene)amino­eth­yl}sulfanido-κ3NOS){22′-(34-di­thia­hexane-16-di­yl)bis­(nitrilo­methanylyl­idene)bis­(4-bromo­phenolato)-κ4ONN′O′}dicobalt(III) di­methyl­formamide monosolvate
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Crystal structure of bis(μ-{2-(5-bromo-2-oxido­benzyl­idene)amino­eth­yl}sulfanido-κ3NOS){22′-(34-di­thia­hexane-16-di­yl)bis­(nitrilo­methanylyl­idene)bis­(4-bromo­phenolato)-κ4ONN′O′}dicobalt(III) di­methyl­formamide monosolvate

机译:双(μ-{2-(5-溴-2-氧代苄苄叉基)氨基 ­基}硫基-κ3的晶体结构NOS){22-(34-二噻吩基己烷-16-二基)双­(亚硝基­基甲基亚萘基)双­(4-溴br酚基)-κ4ONNO}二钴(III)二­甲基­甲酰胺单溶剂化物

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摘要

The title binuclear CoIII complex, [Co2(C9H8BrNOS)2(C18H16Br2N2O2S2)]·C3H7NO, with a Schiff base ligand formed in situ from cyste­amine (2-amino­ethane­thiol) and 5-bromo­salicyl­aldehyde crystallizes in the space group P21. It was found that during the synthesis the ligand undergoes spontaneous oxidation, forming the new ligand H2 L′ having an S—S bond. Thus, the asymmetric unit consists of one Co2(L)2(L′) mol­ecule and one DMF solvent mol­ecule. Each CoIII ion has a slightly distorted octa­hedral S2N2O2 coordination geometry. In the crystal, the components are linked into a three-dimensional network by several S⋯ Br, C⋯ Br, C—H⋯Br, short S⋯C (essentially shorter than the sum of the van der Waals radii for the atoms involved) contacts as well by weak C—H⋯O hydrogen bonds. The crystal studied was refined as an inversion twin.
机译:标题双核Co III 配合物[Co2(C9H8BrNOS)2(C18H16Br2N2O2S2)]·C3H7NO,由半胱胺(2-氨基乙硫醇)和5-溴水杨醛在原位形成席夫碱配体P21组发现在合成期间,配体经历自发氧化,形成具有SS键的新配体H2 L'。因此,不对称单元由一个Co2(L)2(L')分子和一个DMF溶剂分子组成。每个Co III 离子具有稍微扭曲的八面体S 2 N 2 O 2 配位几何。在晶体中,这些成分通过几个S⋯Br,C⋯Br,CHHBr,短S⋯C(基本上短于所涉及原子的范德华半径之和)链接成三维网络)也通过弱的C–H = O氢键接触。研究的晶体被精制为反转孪晶。

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