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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 Y, Qu ZR - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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.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.

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

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.

No MeSH data available.


A view of the asymmetric unit of the title compound with atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level and all H atoms have been omitted for clarity.
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Fap1: A view of the asymmetric unit of the title compound with atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level and all H atoms have been omitted for clarity.


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

Fan Y, Qu ZR - Acta Crystallogr Sect E Struct Rep Online (2014)

A view of the asymmetric unit of the title compound with atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level and all H atoms have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257236&req=5

Fap1: A view of the asymmetric unit of the title compound with atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level and all H atoms have been omitted for clarity.
Bottom Line: 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.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.

View Article: PubMed Central - HTML - PubMed

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

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.

No MeSH data available.