Different structural destinations: comparing reactions of [CuBr2(3-Brpy)(2)] crystals with HBr and HCl gas

G. M. Espallargas, A. J. Florence, J. van de Streek, L. Brammer

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Reaction of green crystalline solid trans-[CuBr2(3-Brpy)2] 1 (3-Brpy = 3-bromopyridine) with HBr (aq) vapour yields brown crystalline salt (3-BrpyH)2[CuBr4] 2 with quantitative conversion. Notably 2 adopts a different crystal structure to the three mutually isostructural compounds (3-XpyH)2[CuCl4] (X = Cl, Br) and (3-BrpyH)2[CuBr2Cl2] which result from reaction with HCl. Crystalline product 2 has been characterised by X-ray powder diffraction and its conversion back to 1 at 370–400 K has been followed in situ by synchrotron X-ray powder diffraction. Crystalline 1 and 2 are further notable for the presence of intermolecular C–BrBr–Cu halogen bonds and (only in the case of 2) N–HBr–Cu hydrogen bonds.
Original languageEnglish
Pages (from-to)4400-4404
Number of pages5
Issue number13
Publication statusPublished - 2011



  • hydrogen bonds
  • intermolecular interactions
  • halogen bond formation
  • M-X
  • coordination polymers
  • salts
  • powder diffraction data

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