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Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II)

The Cu(II) atom in the title compound, [CuCl(2)(C(14)H(21)F(3)N(4))], adopts a coordination geometry that is between distorted square-based pyramidal and very Jahn–Teller-elongated octa­hedral. It is coordinated by three N atoms from the bis­(2-amino­eth­yl)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]am...

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Autores principales: Bussey, Katherine A., Cavalier, Annie R., Mraz, Margaret E., Holderread, Ashley S., Oshin, Kayode D., Oliver, Allen G., Zeller, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4704757/
https://www.ncbi.nlm.nih.gov/pubmed/26870592
http://dx.doi.org/10.1107/S2056989015024147
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author Bussey, Katherine A.
Cavalier, Annie R.
Mraz, Margaret E.
Holderread, Ashley S.
Oshin, Kayode D.
Oliver, Allen G.
Zeller, Matthias
author_facet Bussey, Katherine A.
Cavalier, Annie R.
Mraz, Margaret E.
Holderread, Ashley S.
Oshin, Kayode D.
Oliver, Allen G.
Zeller, Matthias
author_sort Bussey, Katherine A.
collection PubMed
description The Cu(II) atom in the title compound, [CuCl(2)(C(14)H(21)F(3)N(4))], adopts a coordination geometry that is between distorted square-based pyramidal and very Jahn–Teller-elongated octa­hedral. It is coordinated by three N atoms from the bis­(2-amino­eth­yl)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine and two chloride ligands. The two crystallographically unique copper complexes present in the asymmetric unit exhibit noticeable differences in the coordination bond lengths. Considering the Cu(II) atoms as having square-pyramidal geometry, the basal Cu—Cl bond lengths are typical [2.2701 (12) and 2.2777 (12) Å], while the apical distances are considerably elongated [2.8505 (12) and 2.9415 (12) Å]. For each mol­ecule, a Cu(II) atom from inversion-related mol­ecules are in nearby proximity to the remaining axial Cu(II) sites, but the Cu⋯Cl distances are very long [3.4056 (12) and 3.1645 (12) Å], attributable to van der Waals contacts. Nonetheless, these contacts appear to have some structure-directing properties, leading to association into dimers. These dimers associate via stacking of the aromatic rings to form extended zigzag chains.
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spelling pubmed-47047572016-02-11 Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II) Bussey, Katherine A. Cavalier, Annie R. Mraz, Margaret E. Holderread, Ashley S. Oshin, Kayode D. Oliver, Allen G. Zeller, Matthias Acta Crystallogr E Crystallogr Commun Research Communications The Cu(II) atom in the title compound, [CuCl(2)(C(14)H(21)F(3)N(4))], adopts a coordination geometry that is between distorted square-based pyramidal and very Jahn–Teller-elongated octa­hedral. It is coordinated by three N atoms from the bis­(2-amino­eth­yl)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine and two chloride ligands. The two crystallographically unique copper complexes present in the asymmetric unit exhibit noticeable differences in the coordination bond lengths. Considering the Cu(II) atoms as having square-pyramidal geometry, the basal Cu—Cl bond lengths are typical [2.2701 (12) and 2.2777 (12) Å], while the apical distances are considerably elongated [2.8505 (12) and 2.9415 (12) Å]. For each mol­ecule, a Cu(II) atom from inversion-related mol­ecules are in nearby proximity to the remaining axial Cu(II) sites, but the Cu⋯Cl distances are very long [3.4056 (12) and 3.1645 (12) Å], attributable to van der Waals contacts. Nonetheless, these contacts appear to have some structure-directing properties, leading to association into dimers. These dimers associate via stacking of the aromatic rings to form extended zigzag chains. International Union of Crystallography 2016-01-01 /pmc/articles/PMC4704757/ /pubmed/26870592 http://dx.doi.org/10.1107/S2056989015024147 Text en © Bussey et al. 2016 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 Research Communications
Bussey, Katherine A.
Cavalier, Annie R.
Mraz, Margaret E.
Holderread, Ashley S.
Oshin, Kayode D.
Oliver, Allen G.
Zeller, Matthias
Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II)
title Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II)
title_full Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II)
title_fullStr Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II)
title_full_unstemmed Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II)
title_short Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II)
title_sort crystal structure of [bis­(2-amino­ethyl-κn)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κn]di­chlorido­copper(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4704757/
https://www.ncbi.nlm.nih.gov/pubmed/26870592
http://dx.doi.org/10.1107/S2056989015024147
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