Crystal structure and Hirshfeld surface analysis of cyclo -tetra-bromido-1κ 2 Br ,3κ 2 Br -tetra-kis-(μ 2 -2-{[(pyridin-2-yl)meth-yl]amino}-ethane-1-thiol-ato-κ 3 N , S : S )tetra-mercury(II).

Isla D Thomas, Kathryn R Kocher, Julie A Viehweg,Robert D Pike,Deborah C Bebout

Acta crystallographica. Section E, Crystallographic communications(2023)

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摘要
The macrometallacyclic title compound, [HgBr(CHNS)] or [((Hg )(HgBr))] () where = 2-{[(pyridin-2-yl)meth-yl]amino}-ethane-1-thiol, was prepared and structurally characterized. The Hg complex crystallizes in the 2/ space group. The centrosymmetric HgS metallacycle is constructed from metal ions with alternating distorted tetra-hedral BrS and distorted seesaw NS primary coordination environments with pendant pyridyl groups. The backfolded extended chair metallacycle conformation suggests inter-actions between each of the bis-chelated mercury atoms and Br atoms lying above and below the central HgS plane. Supra-molecular inter-actions in include a fourfold aryl embrace and potential hydrogen bonds with bromine as the acceptor. Hirshfeld surface analysis indicates that H⋯H (51.7%), Br⋯H/H⋯Br (23.0%) and C⋯H/H⋯C (9.5%) inter-actions are dominant.
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关键词
crystal structure,hirshfeld surface analysis,metallacycle,chelating n,s-ligands,hg2+ complex
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