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Crystal structure of tetra-μ-acetato-bis-[(5-amino-2-methyl-sulfanyl-1,3,4-thia-diazole-κ )copper(II)]. | LitMetric

The reaction of 2-methyl-thio-5-amino-1,3,4-thia-diazole (Me-SNTD; CHNS) with copper(II) acetate monohydrate [Cu(OAc)·HO; CHCuO] resulted in the formation of the title binuclear compound, [Cu(CHO)(CHNS)] or [Cu(OAc)(Me-SNTD)]. The structure has triclinic ( ) 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 carboxyl-ate groups. Each Cu atom is further coordinated to the N atom of an Me-SNTD mol-ecule and exhibits a Jahn-Teller-distorted octa-hedral geometry. The dimers are connected into infinite chains by hydrogen bonds between the NH (Me-SNTD) and the carboxyl-ate groups of neighbouring mol-ecules, generating an (12) ring motif. The mol-ecules are further linked by C-H⋯π inter-actions between the thia-diazole rings and the methyl groups of the acetate units.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690473PMC
http://dx.doi.org/10.1107/S2056989019010272DOI Listing

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