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Cocrystals of nickel(II) coordination compounds with perhalogenated halogen bond donors

In the last decade, neutral metal-organic compounds containing halogenide ligands as halogen bond acceptors have proven to be reliable building blocks in the design and syntheses of halogen- bonded metal-organic cocrystals [1]. Following our previous studies, where the halogen bonding proclivity of the chlorine atom coordinated to the Co(II) metal centre in metal-organic halogen bonded cocrystals was described [2, 3], in this work we have explored the ability of NiCl2L2 metal complexes (L = 2-acetylpyridine, 2- benzoylpyridine) to act as halogen bond acceptors with six perhalogenated organic compounds as halogen bond donors. By grinding combinations of the two Ni(II) complexes with the selected donors, we obtained nineteen new phases, and five cocrystal single crystals were obtained by crystallization from solution. X- ray structural analysis revealed that the dominant supramolecular interaction in all cocrystals is the Ni–Cl∙∙∙I halogen bond between halogen bond donor iodine atoms and Ni(II) complex chlorine atoms. [1] V. Nemec, K. Lisac, N. Bedeković, L. Fotović, V. Stilinović, D. Cinčić, CrystEngComm 23 (2021) 3063. [2] K. Lisac, D. Cinčić, CrystEngComm 20 (2018) 5955. [3] K. Lisac, D. Cinčić, Crystals 7 (2017) 363.

halogen bond, cocrystal ; coordination compound

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