Synthesis and Crystal Structure of Cu(I) π-Complexes with N-Allyl-5-amino-1-phenyl-1H-l,2,3-triazole-4-carboxamide [Cu(C_(12)H_(13)N_5O)(NO_3)] · 0.5H_2O and [Cu(C_(12)H_(13)N_5O)(CF_3COOH)]

摘要

Copper(I) π-complexes of the compositions [Cu(C_(12)H_(13)N_5O)(NO_3)] ·0.5H_2O (1) and [Cu(C_(12)H_(13)N_5O)(CF_3COO)] (2) (C_(12)H_(13)N_5 O is N-allyl-5-amino-l-phenyl-1H-l,2,3-triazole-4-carboxam-ide) were obtained by alternating-current electrochemical synthesis, and their crystal structures were studied by X-ray crystallography. Crystals of the compounds are monoclinic, space group C2/c with the unit cell parameters a = 21.3976(15) A, b = 8.0335(4) A, c = 18.6027(13) A, β = 114.422(2)°, F= 2911.6(3) A~3, Z= 8 for 1; and a = 18.3578(18) A, b = 9.8700(10) A, c = 20.9094(18) A, β = 106.883(3)°, V= 3625.3(6) A~3, Z= 8 for 2. In both structures, N-allyl-5-amino-1-phenyl- 1H-1,2,3-triazole-4-carboxamide acts as a bridging tridentate chelating ligand and forms with copper(I) atoms infinite chains containing [CuC_4NO] seven-membered rings. The chains are linked to form a three-dimensional framework due to hydrogen bonds (N)H-O, which involve nitrogen atoms of amino and amide groups of the ligand. The coordination sphere of Cu(I) atoms consists of olefm bond of the allyl C=C group, O atom of the carbonyl group, N(3) atom of the triazole nucleus of the organic ligand, and an oxygen atom of nitrate (compound 1) or trifluoroacetate (compound 2) anionj respectively.