CrystEngComm, 22, 6979-6982 (2020)
C. Ramírez de Arellano, R. Adam, R. Ballesteros-Garrido, B. Abarca, R. Ballesteros, I. AlKorta, J. Elguero, E. Escrivà
A C(pi-hole)⋯Cl–Zn tetrel interaction driving a metal–organic supramolecular assembly
A brominated pyrimidinyl triazolopyridine ligand (bptpy) forms a C(π-hole)⋯Cl–Zn tetrel interaction that plays a determining role in the formation of supramolecular layers through chain assembly in 18 membered metallacycle [(ZnCl2)2(μ-bptpy)2] crystals. Supramolecular chains are formed through C–H⋯X interactions. The observed interactions are supported by DFT calculations using model dimers.
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