Heteroligand copper(I) π-complex of 1-allyl-1H-benzotriazole and pyridine: synthesis, crystal structure and Hirshfeld surface analysis
Chem.
Met. Alloys 10 (2017)
12-17
https://doi.org/10.30970/cma10.0351
Yurii SLYVKA, Evgeny GORESHNIK,
Marian MYS’KIV
By means of the alternating current
electrochemical technique, a new heteroligand [Cu2Cl2(1-Abtr)(Py)]2
complex (1-Abtr = 1-allyl-1H-benzotriazole, Py = pyridine) has been obtained
and characterized by X-ray single crystal diffraction. Crystals of the title
compound are monoclinic, space group P21/n, a = 10.6059(10), b = 8.9848(7), c = 17.1098(17) Å, β = 97.798(5)°, V = 1615.3(3) Å3 at 293 K, Z = 2. Dimeric [Cu2Cl2(1‑Abtr)(Py)]2 fragments are
formed in
the structure.
The 1-Abtr moiety acts as a chelate-bridging ligand, being
attached to the copper(I) ions via two triazole N atoms and the olefin
C=C bond of the ligand allyl
group. The two copper atoms have distinctly different coordination
environments: π-bonded Cu(I) ion adopts an approximately trigonal pyramidal surrounding, which includes a pyridine N
atom, and the σ‑bonded copper(I) ion a distorted tetrahedral
surrounding, formed by two triazole N atoms and two
bridging halogen ions. To visualize the interactions between the fragments a Hirshfeld surface analysis was performed.
Dimeric [Cu2Cl2(1-Abtr)(Py)]2 fragment
in structure 1.
Keywords
1,2,3-Triazole /
Pyridine / Copper(I) / π-Complex / Crystal structure