Faculté des sciences et de médecine

Solid-state structure and anti­microbial and cytotoxicity studies of a cucurbit[6]uril-like Cu6L4 constructed from 3,5-bis­[(1H-tetra­zol-5-yl)meth­yl]-4H-1,2,4-triazol-4-amine

Vasylevskyi, Serhii ; Holzheu, Anja ; Fromm, Katharina M.

In: Acta Crystallographica Section C: Structural Chemistry, 2018, vol. 74, no. 11, p. 1413–1419

3,5-Bis[(1H-tetra­zol-5-yl)meth­yl]-4H-1,2,4-triazol-4-amine (H2L) associates under deprotonation with CuSO4 in aqueous medium to form a new waisted barrel-shaped M6L4 cluster, namely hexa­aqua­tetra­kis­{μ4-3,5-bis­[(1H-tetra­zol-5-yl)meth­yl]-4H-1,2,4- triazol-4-amine}-μ4-sulfato-hexa­copper(II) sulfate hydrate, [Cu6(SO4) (C6H6N12)4(H2O)6]SO4·nH2O (n = ∼23) (1). Cluster 1... Plus

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    Summary
    3,5-Bis[(1H-tetra­zol-5-yl)meth­yl]-4H-1,2,4-triazol-4-amine (H2L) associates under deprotonation with CuSO4 in aqueous medium to form a new waisted barrel-shaped M6L4 cluster, namely hexa­aqua­tetra­kis­{μ4-3,5-bis­[(1H-tetra­zol-5-yl)meth­yl]-4H-1,2,4- triazol-4-amine}-μ4-sulfato-hexa­copper(II) sulfate hydrate, [Cu6(SO4) (C6H6N12)4(H2O)6]SO4·nH2O (n = ∼23) (1). Cluster 1 resembles concave cucurbit[6]uril and has one disordered sulfate anion trapped inside the cage, which additionally stabilizes the Cu6 unit. The CuII ions have either a square-pyramidal or a distorted octa­hedral geometry. The equatorial positions are filled by N atoms from the L2− ligand, while the axial positions are occupied by coordinated water mol­ecules and O atoms of the sulfate counter-ion. In the solid state, the Cu6 clusters are connected through a large number of hydrogen bonds formed by uncoordinated water mol­ecules and an additional sulfate anion. The compound shows good anti­microbial activity against E. coli tested with the Kirby Bauer approach. In addition, the cell viability towards HeLa and L-929 cells was studied.