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

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 ?-? 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.

SUBMITTER: Fan Y 

PROVIDER: S-EPMC4257236 | biostudies-other | 2014 Nov

REPOSITORIES: biostudies-other

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

Fan Yan Y   Qu Zhi-Rong ZR  

Acta crystallographica. Section E, Structure reports online 20141011 Pt 11

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  ...[more]

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