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Dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1H-benzimidazole]­copper(II)

In the title compound, [CuBr(2)(C(27)H(36)N(4))], the Cu(II) ion exhibits a distorted tetra­hedral coordination geometry provided by two bromide ions and by chelation of two imine N-atom donors from a bis­(benzimidazole) ligand. Chelation results in a six-membered boat-shaped ring which links the be...

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Autores principales: Stibrany, Robert T., Potenza, Joseph A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007084/
https://www.ncbi.nlm.nih.gov/pubmed/21587699
http://dx.doi.org/10.1107/S160053681002088X
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author Stibrany, Robert T.
Potenza, Joseph A.
author_facet Stibrany, Robert T.
Potenza, Joseph A.
author_sort Stibrany, Robert T.
collection PubMed
description In the title compound, [CuBr(2)(C(27)H(36)N(4))], the Cu(II) ion exhibits a distorted tetra­hedral coordination geometry provided by two bromide ions and by chelation of two imine N-atom donors from a bis­(benzimidazole) ligand. Chelation results in a six-membered boat-shaped ring which links the benzimidazole groups. Each bis­(benzimidazole) fragment contains three n-butyl substituents, two of which have the expected trans conformation; the third exhibits the higher-energy cis conformation, an orientation consistent with several short intra­molecular C—H⋯Br inter­actions. Essentially planar (r.m.s. deviations of 0.0101 and 0.0183 Å) benzimidazole groups are oriented so as to give the bis­(benzimidazole) fragment a V-shaped appearance in profile with the cis and trans n-butyl groups directed to opposite sides of the planes. In the crystal, columns of mol­ecules along the b-axis direction form layers parallel to the (202) planes. Within a given column, the mol­ecules are linked by C—H⋯Br hydrogen bonds. The mol­ecules in adjacent columns are also linked by inter­molecular C—H⋯π interactions, forming a three-dimensional network.
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spelling pubmed-30070842010-12-30 Dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1H-benzimidazole]­copper(II) Stibrany, Robert T. Potenza, Joseph A. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [CuBr(2)(C(27)H(36)N(4))], the Cu(II) ion exhibits a distorted tetra­hedral coordination geometry provided by two bromide ions and by chelation of two imine N-atom donors from a bis­(benzimidazole) ligand. Chelation results in a six-membered boat-shaped ring which links the benzimidazole groups. Each bis­(benzimidazole) fragment contains three n-butyl substituents, two of which have the expected trans conformation; the third exhibits the higher-energy cis conformation, an orientation consistent with several short intra­molecular C—H⋯Br inter­actions. Essentially planar (r.m.s. deviations of 0.0101 and 0.0183 Å) benzimidazole groups are oriented so as to give the bis­(benzimidazole) fragment a V-shaped appearance in profile with the cis and trans n-butyl groups directed to opposite sides of the planes. In the crystal, columns of mol­ecules along the b-axis direction form layers parallel to the (202) planes. Within a given column, the mol­ecules are linked by C—H⋯Br hydrogen bonds. The mol­ecules in adjacent columns are also linked by inter­molecular C—H⋯π interactions, forming a three-dimensional network. International Union of Crystallography 2010-06-16 /pmc/articles/PMC3007084/ /pubmed/21587699 http://dx.doi.org/10.1107/S160053681002088X Text en © Stibrany and Potenza 2010 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 Metal-Organic Papers
Stibrany, Robert T.
Potenza, Joseph A.
Dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1H-benzimidazole]­copper(II)
title Dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1H-benzimidazole]­copper(II)
title_full Dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1H-benzimidazole]­copper(II)
title_fullStr Dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1H-benzimidazole]­copper(II)
title_full_unstemmed Dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1H-benzimidazole]­copper(II)
title_short Dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1H-benzimidazole]­copper(II)
title_sort dibromido[1,1′-dibutyl-2,2′-(pentane-1,1-di­yl)di-1h-benzimidazole]­copper(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007084/
https://www.ncbi.nlm.nih.gov/pubmed/21587699
http://dx.doi.org/10.1107/S160053681002088X
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