Bussey Katherine A, Cavalier Annie R, Mraz Margaret E, Holderread Ashley S, Oshin Kayode D, Oliver Allen G, Zeller Matthias
Department of Chemistry & Physics, Saint Marys College, Notre Dame, IN 46556, USA.
Department of Chemistry & Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Acta Crystallogr E Crystallogr Commun. 2016 Jan 1;72(Pt 1):83-6. doi: 10.1107/S2056989015024147.
The Cu(II) atom in the title compound, [CuCl2(C14H21F3N4)], adopts a coordination geometry that is between distorted square-based pyramidal and very Jahn-Teller-elongated octa-hedral. It is coordinated by three N atoms from the bis-(2-amino-eth-yl)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)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 mol-ecule, a Cu(II) atom from inversion-related mol-ecules 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.
标题化合物[CuCl₂(C₁₄H₂₁F₃N₄)]中的铜(II)原子采用的配位几何结构介于扭曲的四方锥和非常 Jahn-Teller 拉长的八面体之间。它由双-(2-氨基乙基)(2-{[4-(三氟甲基)亚苄基]氨基}-乙基)胺中的三个 N 原子和两个氯配体配位。不对称单元中存在的两种晶体学上独特的铜配合物在配位键长上表现出明显差异。将铜(II)原子视为具有四方锥几何结构，底面的 Cu-Cl 键长是典型的[2.2701 (12) 和 2.2777 (12) Å]，而顶端距离则显著拉长[2.8505 (12) 和 2.9415 (12) Å]。对于每个分子，来自对称相关分子的一个铜(II)原子与其余轴向铜(II)位点相邻，但 Cu⋯Cl 距离非常长[3.4056 (12) 和 3.1645 (12) Å]，这归因于范德华接触。尽管如此，这些接触似乎具有一些结构导向性质，导致形成二聚体。这些二聚体通过芳环堆积形成延伸的锯齿链。
