首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of the salt bis­(tri­ethano­lamine-κ3NOO′)cobalt(II) bis­2-(2-oxo-23-di­hydro-13-benzo­thia­zol-3-yl)acetate
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Crystal structure of the salt bis­(tri­ethano­lamine-κ3NOO′)cobalt(II) bis­2-(2-oxo-23-di­hydro-13-benzo­thia­zol-3-yl)acetate

机译:盐双­(三­乙醇­胺-κ3)的晶体结构NOO)钴(II)双­ 2-(2-氧代-23-二­氢-13-苯并­噻唑-3-基)乙酸盐

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摘要

The reaction of 2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetic acid (NBTA) and tri­ethano­lamine (TEA) with Co(NO3)2 results in the formation of the title complex, [Co(C6H15NO3)2](C9H6NO3S)2, which is formed as a result of the association of bis­(tri­ethano­lamine)­cobalt(II) and 2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate units. It crystallizes in the monoclinic centrosymmetric space group P21/c, with the CoII ion situated on an inversion centre. In the complex cation, the CoII ion is octa­hedrally coordinated by two N,O,O′-tridentate TEA mol­ecules with a facial distribution and the N atoms in a trans arrangement. Two ethanol groups of each TEA mol­ecule form two five-membered chelate rings around the CoII ion, while the third ethanol group does not coordinate to the metal. The free and coordinating hy­droxy groups of the TEA mol­ecules are involved in hydrogen bonding with the O atoms of NBTA anions, forming an infinite two-dimensional network extending parallel to the bc plane.
机译:2-(2-氧代-2,3-二氢-1,3-苯并噻唑-3-基)乙酸(NBTA)和三乙醇胺(TEA)与Co(NO3)2的反应导致形成标题配合物,[Co(C6H15NO3)2](C9H6NO3S)2,是由于双(三乙醇胺)钴(II)与2-(2-氧代-2,3-二氢-1,3-苯并噻唑)缔合而形成的-3-基)乙酸酯单元。它在单斜向中心对称空间群P21 / c中结晶,而Co II 离子位于反演中心。在络合阳离子中,Co II 离子由两个N,O,O'-三齿TEA分子以八面体形式配位,这些分子具有面部分布,并且N原子呈反式排列。每个TEA分子的两个乙醇基团在Co II 离子周围形成两个五元螯合环,而第三个乙醇基团不与金属配位。 TEA分子的游离和配位羟基与NBTA阴离子的O原子发生氢键结合,形成平行于bc平面延伸的无限二维网络。

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