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

Katherine A. Bussey, Annie R. Cavalier, Margaret E. Mraz, Ashley S. Holderread, Kayode Oshin, Allen G. Oliver, Matthias Zeller

Research output: Contribution to journalArticle

Abstract

The CuII atom in the title compound, [CuCl2(C14H21F3N4)], 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 CuII 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 CuII atom from inversion-related molecules are in nearby proximity to the remaining axial CuII 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.

Original languageEnglish (US)
JournalActa Crystallographica Section E: Crystallographic Communications
Volume72
DOIs
StatePublished - Jan 1 2016
Externally publishedYes

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Amines
amines
Crystal structure
Atoms
crystal structure
Bond length
Dimers
atoms
dimers
Molecules
Geometry
geometry
proximity
Chlorides
Copper
molecules
chlorides
Ligands
Association reactions
inversions

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

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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; Oliver, Allen G.; Zeller, Matthias.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 72, 01.01.2016.

Research output: Contribution to journalArticle

Bussey, Katherine A. ; Cavalier, Annie R. ; Mraz, Margaret E. ; Holderread, Ashley S. ; Oshin, Kayode ; Oliver, Allen G. ; Zeller, Matthias. / Crystal structure of [bis(2-aminoethyl-κN)(2-{[4-(trifluoromethyl)benzylidene]amino}ethyl)amine-κN]dichloridocopper(II). In: Acta Crystallographica Section E: Crystallographic Communications. 2016 ; Vol. 72.
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abstract = "The CuII atom in the title compound, [CuCl2(C14H21F3N4)], 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 CuII atoms as having square-pyramidal geometry, the basal Cu - Cl bond lengths are typical [2.2701(12) and 2.2777(12){\AA}], while the apical distances are considerably elongated [2.8505(12) and 2.9415(12){\AA}]. For each molecule, a CuII atom from inversion-related molecules are in nearby proximity to the remaining axial CuII sites, but the Cu⋯Cl distances are very long [3.4056(12) and 3.1645(12){\AA}], 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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AU - Mraz, Margaret E.

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AU - Oliver, Allen G.

AU - Zeller, Matthias

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AB - The CuII atom in the title compound, [CuCl2(C14H21F3N4)], 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 CuII 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 CuII atom from inversion-related molecules are in nearby proximity to the remaining axial CuII 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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