[Cu3(C11H12N3OS)3(C11H10N3OS)]SO4 · 3H2O, a trinuclear heteroleptic copper(II) complex with N-allyl-N′-salicylidenethiosemicarbazone and its cyclization product: Synthesis and X-ray diffraction study

• Published in: Russian journal of coordination chemistry Vol. 37; no. 2; pp. 149 - 152
• Main Authors: Bon, V. V., Orysyk, S. I., Pekhnyo, V. I.
• Format: Journal Article
• Language: English
• Published: Dordrecht SP MAIK Nauka/Interperiodica 01.02.2011
• Subjects: Chemistry; Chemistry and Materials Science; Inorganic Chemistry; Physical Chemistry; Cyclization Product; Allyl; Thiosemi Carbazone; Triazole Ring; Phenoxyl
• ISSN: 1070-3284; 1608-3318
• DOI: 10.1134/S1070328411010027

Single crystals of a trinuclear copper(II) complex with N-allyl-N′-salicylidenethiosemicarbazone and its cyclization product were obtained and examined by X-ray diffraction. Prolonged keeping of the reaction mixture in aqueous ethanol at room temperature resulted in partial cyclization of the starting ligand into 2-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)phenol followed by coordination of both ligands to copper ions, giving a cluster-type trinuclear complex of the empirical formula C 44 H 50 N 12 O 11 S 5 Cu 3 . The crystals are monoclinic, space group P 2 1 / n , a = 14.1169(4) Å, b = 20.1006(5) Å, c = 19.6852(5) 0A, β = 107.065(2)°, Z = 4, R 1 = 0.0586 ( I > 4σ( I )). The structure of the complex consists of three square fragments; in each fragment, the Cu atom is coordinated in a tridentate fashion by the starting organic ligand in the thione form. The cyclization product of this ligand is coordinated through two triazole N atoms and the thiol S atom, thus extending the square environment of copper. The cluster structure of the complex is formed by the bridging bonds Cu-O-Cu between the Cu(1) and Cu(2) atoms and by the bridging bonds Cu-S-Cu between the Cu(2) and Cu(3) atoms.