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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-3007084 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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