Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ2Br,3κ2Br-tetrakis(μ2-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ3N,S:S)tetramercury(II)

The macrometallacyclic title compound, [Hg4Br4(C8H11N2S)(4)] or [((HgL2)(HgBr2))(2)] (1) where HL = 2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiol, was prepared and structurally characterized. The Hg2+ complex crystallizes in the P2(1)/c space group. The centrosymmetric Hg4S4 metallacycle is constructed from metal ions with alternating distorted tetrahedral Br2S2 and distorted seesaw N2S2 primary coordination environments with pendant pyridyl groups. The backfolded extended chair metallacycle conformation suggests interactions between each of the bis-chelated mercury atoms and Br atoms lying above and below the central Hg2S4 plane. Supramolecular interactions in 1 include a fourfold aryl embrace and potential hydrogen bonds with bromine as the acceptor. Hirshfeld surface analysis indicates that H center dot center dot center dot H (51.7%), Br center dot center dot center dot H/H center dot center dot center dot Br (23.0%) and C center dot center dot center dot H/H center dot center dot center dot C (9.5%) interactions are dominant.