Copper(I) π-complexes with 5-(allylthio)-1-(4-chlorophenyl)-1H-tetrazole. Synthesis and crystal structure of [Cu2(C10H9ClN4S)2(H2O)2](NO3)2×C2H5OH and [Cu3(C10H9ClN4S)Cl3] p­compounds

 

Chem. Met. Alloys 2 (2009) 130-137

https://doi.org/10.30970/cma2.0091

 

Yuriy SLYVKA, Nazar POKHODYLO, Roman SAVKA, Evgeny GORESHNIK, Zoran MAZEJ, Maryan MYS’KIV

 

Two crystalline copper(I), [Cu2(C10H9ClN4S)2(H2O)2](NO3)2×C2H5OH (1) and [Cu3(C10H9ClN4S)Cl3] (2), p‑complexes with 5­(allylthio)-1-(4-chlorophenyl)-1H-tetrazole (C10H9ClN4S) have been synthesized by the alternating-current electrochemical technique and X-ray studied. The crystals are triclinic, space group , for 1: a = 10.760(4), b = 1.663(4), c = 15.040(4) Å, a = 101.51(4), b = 94.12(4), g = 116.37(4) °, V = 1629.1(9) Å3, Z = 2;  for 2: a = 7.709(5), b = 10.938(6), c = 11.632(6) Å, a = 104.70(8), b = 108.20(8), g = 104.50(8) °, V = 841.3(8) Å3, Z = 1. The structure of 1 is built of discrete [Cu2(C10H9ClN4S)2(H2O)2]2+ p­complex cations, in which the Cu(I) atoms possess a trigonal pyramidal coordination environment formed by two N atoms of the tetrazole rings of adjacent C10H9ClN4S molecules, a C=C bond of an S-allyl group and an apical water molecule. Replacement of NO3- by Cl- leads to the formation of endless [Cu2Cl3]∞ anionic chains, besides [Cu2(C10H9ClN4S)2(H2O)2]2+ p­complex cations, in the structure of 2. The infinite anions are bonded to the complex cations through bridging Cl atoms, so that two-dimensional layers are formed. In the structure of 2, a variety of hydrogen contacts ((Ow×××O(N) 2.70-2.79 Å) unite neighboring [Cu2(C10H9ClN4S)2Cl2]2+ cations and NO3- anions into a 3D-framework.

Fragment of I crystal structure

 

Keywords

Tetrazole / Copper / Electrochemical technique / p-Complex / Crystal structure