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Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ(2) N (3),O]cobalt(II)
The asymmetric unit of the title Co(II) complex, [Co(C(13)H(8)BrN(2)O)(2)], contains two independent molecules (A and B). In both molecules, the Co(II) cation is N,O-chelated by two 2-(1H-benzimidazol-2-yl)-4-bromophenolate anions in a distorted tetrahedral geometry. In molecule A, both chelati...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257236/ https://www.ncbi.nlm.nih.gov/pubmed/25484776 http://dx.doi.org/10.1107/S1600536814021813 |
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author | Fan, Yan Qu, Zhi-Rong |
author_facet | Fan, Yan Qu, Zhi-Rong |
author_sort | Fan, Yan |
collection | PubMed |
description | The asymmetric unit of the title Co(II) complex, [Co(C(13)H(8)BrN(2)O)(2)], contains two independent molecules (A and B). In both molecules, the Co(II) cation is N,O-chelated by two 2-(1H-benzimidazol-2-yl)-4-bromophenolate anions in a distorted tetrahedral geometry. In molecule 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 molecule B, both chelating rings are approximately planar, the maximum deviations being 0.039 (4) and 0.076 (3) Å. In the crystal, molecules are linked by classical N—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯Br hydrogen bonds into a three-dimensional supramolecular network. Extensive π–π stacking is observed between nearly parallel aromatic rings of adjacent molecules with centroid–centroid distances in the range 3.407 (3)–3.850 (4) Å. |
format | Online Article Text |
id | pubmed-4257236 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42572362014-12-05 Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ(2) N (3),O]cobalt(II) Fan, Yan Qu, Zhi-Rong Acta Crystallogr Sect E Struct Rep Online Data Reports The asymmetric unit of the title Co(II) complex, [Co(C(13)H(8)BrN(2)O)(2)], contains two independent molecules (A and B). In both molecules, the Co(II) cation is N,O-chelated by two 2-(1H-benzimidazol-2-yl)-4-bromophenolate anions in a distorted tetrahedral geometry. In molecule 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 molecule B, both chelating rings are approximately planar, the maximum deviations being 0.039 (4) and 0.076 (3) Å. In the crystal, molecules are linked by classical N—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯Br hydrogen bonds into a three-dimensional supramolecular network. Extensive π–π stacking is observed between nearly parallel aromatic rings of adjacent molecules with centroid–centroid distances in the range 3.407 (3)–3.850 (4) Å. International Union of Crystallography 2014-10-11 /pmc/articles/PMC4257236/ /pubmed/25484776 http://dx.doi.org/10.1107/S1600536814021813 Text en © Fan and Qu 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Fan, Yan Qu, Zhi-Rong Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ(2) N (3),O]cobalt(II) |
title | Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ(2)
N
(3),O]cobalt(II) |
title_full | Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ(2)
N
(3),O]cobalt(II) |
title_fullStr | Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ(2)
N
(3),O]cobalt(II) |
title_full_unstemmed | Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ(2)
N
(3),O]cobalt(II) |
title_short | Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ(2)
N
(3),O]cobalt(II) |
title_sort | crystal structure of bis[2-(1h-benzimidazol-2-yl)-4-bromophenolato-κ(2)
n
(3),o]cobalt(ii) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257236/ https://www.ncbi.nlm.nih.gov/pubmed/25484776 http://dx.doi.org/10.1107/S1600536814021813 |
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