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双-[2-(1H-苯并咪唑-2-基)-4-溴苯酚根-κ(2) N(3),O]钴(II)的晶体结构

Crystal structure of bis-[2-(1H-benzimid-azol-2-yl)-4-bromo-phenolato-κ(2) N (3),O]cobalt(II).

作者信息

Fan Yan, Qu Zhi-Rong

机构信息

Key Laboratory of Organosilicon Chemistry and Material Technology of the Ministry of Education, Hangzhou Normal University, Hangzhou 311121, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 11;70(Pt 11):m363-4. doi: 10.1107/S1600536814021813. eCollection 2014 Nov 1.

Abstract

The asymmetric unit of the title Co(II) complex, [Co(C13H8BrN2O)2], contains two independent mol-ecules (A and B). In both mol-ecules, the Co(II) cation is N,O-chelated by two 2-(1H-benzimidazol-2-yl)-4-bromo-phenolate anions in a distorted tetra-hedral geometry. In mol-ecule A, both chelating rings display an envelope conformation, with the flap Co atom lying 0.614 (6) and 0.483 (6) Å from the mean planes of the remaining atoms. In mol-ecule B, both chelating rings are approximately planar, the maximum deviations being 0.039 (4) and 0.076 (3) Å. In the crystal, mol-ecules are linked by classical N-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯Br hydrogen bonds into a three-dimensional supra-molecular network. Extensive π-π stacking is observed between nearly parallel aromatic rings of adjacent mol-ecules with centroid-centroid distances in the range 3.407 (3)-3.850 (4) Å.

摘要

标题钴(II)配合物[Co(C₁₃H₈BrN₂O)₂]的不对称单元包含两个独立分子(A和B)。在这两个分子中,Co(II)阳离子通过两个2-(1H-苯并咪唑-2-基)-4-溴酚酸根阴离子以扭曲的四面体几何构型进行N,O-螯合。在分子A中,两个螯合环均呈现信封式构象,瓣状Co原子与其余原子的平均平面相距0.614(6)和0.483(6)Å。在分子B中,两个螯合环近似平面,最大偏差为0.039(4)和0.076(3)Å。在晶体中,分子通过经典的N-H⋯O氢键以及弱的C-H⋯O和C-H⋯Br氢键连接成三维超分子网络。在相邻分子几乎平行的芳环之间观察到广泛的π-π堆积作用,质心间距在3.407(3)-3.850(4)Å范围内。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cae4/4257236/25a998596b97/e-70-0m363-fig1.jpg

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