首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Redetermination of bis­(2-formyl­phenolato-κ2 OO′)nickel(II) as bis­2-(imino­meth­yl)phenolato-κ2 NO′nickel(II)
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Redetermination of bis­(2-formyl­phenolato-κ2 OO′)nickel(II) as bis­2-(imino­meth­yl)phenolato-κ2 NO′nickel(II)

机译:双­(2-甲酰基­酚基-κ2)的重新测定 OO)镍(II)为双­ 2-(亚氨基­甲基)苯酚-κ2 NO镍(II)

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摘要

The crystal structure of bis­(2-formyl­phenolato-κ2 O,O′)nickel(II), [Ni(C7H5O2)2], a square-planar centrosymmetric complex, has been reported previously []. However, a number of warning signs allows the assumption that the carbonyl group in the salicylaldehydate ligand of the claimed complex is incorrect. The crystal structure was therefore redetermined on basis of the originally deposited structure factors. After substituting the carbonyl O atom by an N atom, the model can be completed with an imine H atom, which was clearly discernible in a difference map. The resulting model, corresponding to bis­[2-(imino­meth­yl)phenolato-κ2 N,O′]nickel(II), [Ni(C7H6NO)2], converges well and none of the previous structural alerts remains. This reinter­pretation is also consistent with the published synthesis, which was carried out using salicylaldehyde in the presence of aqueous NH3. The reinter­preted structure is virtually identical to earlier reports dealing with this bis-iminato NiII complex.
机译:先前已经报道了方形平面中心对称的双(2-甲酰基苯酚-κ 2 O,O')镍(II)的晶体结构[] 。然而,许多警告标志允许假设所要求保护的络合物的水杨醛醛酸酯配体中的羰基是不正确的。因此,根据最初沉积的结构因素重新确定晶体结构。用N原子取代羰基O原子后,可以用亚胺H原子完成模型,这在差异图中可以明显看出。生成的模型对应于双[2-(亚氨基甲基)苯酚基-κ 2 N,O']镍(II),[Ni(C7H6NO)2],很好地收敛并且没有以前的结构警报仍然存在。这种重新解释也与已公开的合成相一致,该合成是使用水杨醛在NH3水溶液存在下进行的。重新解释的结构实际上与早期报道的关于这种双亚胺基Ni II 络合物的报道相同。

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