Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ² Br,3κ² Br-tetrakis(μ₂-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ³ N,S:S)tetramercury(II)

The macrometallacyclic title compound, [Hg 4 Br 4 (C 8 H 11 N 2 S) 4 ] or [((Hg L 2 )(HgBr 2 )) 2 ] ( 1 ) where HL = 2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiol, was prepared and structurally characterized. The Hg 2+ complex crystallizes in the P 2 1 / c space group. The centrosymmetric Hg 4 S 4 metallacycle is constructed from metal ions with alternating distorted tetrahedral Br 2 S 2 and distorted seesaw N 2 S 2 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 Hg 2 S 4 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...H (51.7%), Br...H/H...Br (23.0%) and C...H/H...C (9.5%) interactions are dominant.