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Solid‐state structure and antimicrobial and cytotoxicity studies of a cucurbit[6]uril‐like Cu 6 L 4 constructed from 3,5‐bis[(1 H ‐tetrazol‐5‐yl)methyl]‐4 H ‐1,2,4‐triazol‐4‐amine
Author(s) -
Vasylevskyi Serhii,
Holzheu Anja,
Fromm Katharina M.
Publication year - 2018
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229618013670
Subject(s) - deprotonation , chemistry , crystallography , octahedron , amine gas treating , ligand (biochemistry) , hydrogen bond , molecule , isostructural , aqueous solution , ion , sulfate , stereochemistry , square pyramidal molecular geometry , cluster (spacecraft) , medicinal chemistry , crystal structure , organic chemistry , biochemistry , receptor , computer science , programming language
3,5‐Bis[(1 H ‐tetrazol‐5‐yl)methyl]‐4 H ‐1,2,4‐triazol‐4‐amine (H 2 L ) associates under deprotonation with CuSO 4 in aqueous medium to form a new waisted barrel‐shaped M 6 L 4 cluster, namely hexaaquatetrakis{μ 4 ‐3,5‐bis[(1 H ‐tetrazol‐5‐yl)methyl]‐4 H ‐1,2,4‐triazol‐4‐amine}‐μ 4 ‐sulfato‐hexacopper(II) sulfate hydrate, [Cu 6 (SO 4 )(C 6 H 6 N 12 ) 4 (H 2 O) 6 ]SO 4 · n H 2 O ( n = ∼23) ( 1 ). Cluster 1 resembles concave cucurbit[6]uril and has one disordered sulfate anion trapped inside the cage, which additionally stabilizes the Cu 6 unit. The Cu II ions have either a square‐pyramidal or a distorted octahedral geometry. The equatorial positions are filled by N atoms from the L 2− ligand, while the axial positions are occupied by coordinated water molecules and O atoms of the sulfate counter‐ion. In the solid state, the Cu 6 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.