Synthesis and crystal structure of Cu(I) Delta p-complexes with N-allyl-5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide [Cu(C12H13N5O)(NO3)] ? 0.5H2O and [Cu(C12H13N5O)(CF3COOH)]

• Published in: Russian journal of inorganic chemistry 2012-06, Vol.57 (6), p.815-821
• Main Authors: Slyvka, Yu I, Pavlyuk, A V, Ardan, B R, Pokhodilo, N T, Goreshnik, E A, Demchenko, P Yu
• Format: Article
• Language: English
• Subjects: Chemical bonds; Crystal structure; Ligands; Nitrogen atoms; Nuclei; Synthesis; Three dimensional; Unit cell
• ISSN: 0036-0236
• DOI: 10.1134/S0036023612060216

Copper(I) Delta *p-complexes of the compositions ? 0.5H2O (1) and (2) (C12H13N5O is N-allyl-5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide) 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, Delta *b = 114.422(2)?, V = 2911.6(3) A3, Z = 8 for 1; and a = 18.3578(18) A, b = 9.8700(10) A, c = 20.9094(18) A, Delta *b = 106.883(3)?, V = 3625.3(6) A3, 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 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 olefin 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) anion, respectively.