Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Fan, Yan, Qu, Zhi-Rong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
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
_version_ 1782347707587756032
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
work_keys_str_mv AT fanyan crystalstructureofbis21hbenzimidazol2yl4bromophenolatok2n3ocobaltii
AT quzhirong crystalstructureofbis21hbenzimidazol2yl4bromophenolatok2n3ocobaltii