Crystal structure of tetra-μ-acetato-bis[(5-amino-2-methylsulfanyl-1,3,4-thiadiazole-κ<i>N</i> ¹)copper(II)]

The reaction of 2-methylthio-5-amino-1,3,4-thiadiazole (Me-SNTD; C 3 H 5 N 3 S 2 ) with copper(II) acetate monohydrate [Cu(OAc) 2 ·H 2 O; C 4 H 8 CuO 5 ] resulted in the formation of the title binuclear compound, [Cu 2 (C 2 H 3 O 2 ) 4 (C 3 H 5 N 3 S 2 ) 2 ] or [Cu 2 (OAc) 4 (Me-SNTD) 2 ]. The structure has triclinic ( P \overline{1}) symmetry with a crystallographic inversion centre located at the midpoint of the line connecting the Cu atoms in the dimer. These two Cu atoms of the dimer [Cu...Cu = 2.6727 (6) Å] are held together by four carboxylate groups. Each Cu atom is further coordinated to the N atom of an Me-SNTD molecule and exhibits a Jahn–Teller-distorted octahedral geometry. The dimers are connected into infinite chains by hydrogen bonds between the NH (Me-SNTD) and the carboxylate groups of neighbouring molecules, generating an R 2 2 (12) ring motif. The molecules are further linked by C—H...π interactions between the thiadiazole rings and the methyl groups of the acetate units.

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