Diverse coordination of CuX (X = Сl, Br) towards N-allylbenzotriazole

Chem. Met. Alloys 9 (2016) 61-65

https://doi.org/10.30970/cma9.0323

Yurii SLYVKA, Evgeny GORESHNIK, Marian MYS’KIV

The crystalline Cu(I) complex [Cu(1-Abtr)Br] (1-Abtr = 1-allylbenzotriazole) was obtained by means of the alternating-current electrochemical technique and was characterized by X-ray single crystal diffraction. The crystal structure is monoclinic, space group P2₁/c, Z = 4, a = 4.110(2), b = 13.858(4), c = 17.272(5) Å, β = 90.14(3)°, V = 983.7(6) Å³, at 200 K. The Сu(I) atoms possess a distorted tetrahedral coordination environment involving two N atoms from two adjacent triazole molecules and two bridging Br atoms, while the allylic C=C bond of 1-Abtr does not participate in the metal coordination. On the contrary, reaction of CuCl and Cu(Cl,Br) with N-allylbenzotriazole under similar conditions results in π,σ-complexes, revealing the (C=C),N-bidentate bridging role of 1-Abtr.

Fragment of [Cu(1-Abtr)Br] crystal structure.

Keywords

Triazole / Copper(I) / Complex / Crystal structure