Crystal structure and Hirshfeld surface analysis of cyclo-tetra-bromido-1κ²Br,3κ²Br-tetra-kis-(μ₂-2-{[(pyridin-2-yl)meth-yl]amino}-ethane-1-thiol-ato-κ³N, S: S)tetra-mercury(II)

The macrometallacyclic title compound, [Hg₄Br₄(C₈H₁₁N₂S)₄] or [((HgL ₂)(HgBr₂))₂] (1) where HL = 2-{[(pyridin-2-yl)meth-yl]amino}-ethane-1-thiol, was prepared and structurally characterized. The Hg²⁺ complex crystallizes in the P2₁/c space group. The centrosymmetric Hg₄S₄ metallacycle is constructed from metal ions with alternating distorted tetra-hedral Br₂S₂ and distorted seesaw N₂S₂ 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 Hg₂S₄ plane. Supra-molecular inter-actions in 1 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.