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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4704757 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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