Author/Authors :
Bussey,Katherine A. Department of Chemistry & Physics, Saint Marys College, USA , Cavalier, Annie R. Department of Chemistry & Physics, Saint Marys College, USA , Mraz, Margaret E. Department of Chemistry & Physics, Saint Marys College, USA , Holderread,Ashley S. Department of Chemistry & Physics, Saint Marys College, USA , Oshin, Kayode D. Department of Chemistry & Physics, Saint Marys College, USA , Oliver, Allen G. Department of Chemistry & Biochemistry - University of Notre Dame, USA , Zeller, Matthias Department of Chemistry - Youngstown State University, USA
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) A˚ ], while
the apical distances are considerably elongated [2.8505 (12) and 2.9415 (12) A˚ ].
For each molecule, a CuII atom from inversion-related molecules are in nearby
proximity to the remaining axial CuII sites, but the CuCl distances are very
long [3.4056 (12) and 3.1645 (12) A˚ ], 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.
Keywords :
ligand disorder , trifluoromethyl group analogue , four-coordinate copper(II) complex , crystal structure
