Fan Yan, Qu Zhi-Rong
Key Laboratory of Organosilicon Chemistry and Material Technology of the Ministry of Education, Hangzhou Normal University, Hangzhou 311121, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 11;70(Pt 11):m363-4. doi: 10.1107/S1600536814021813. eCollection 2014 Nov 1.
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.
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。
