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

Espallargas, G. M. and Florence, A. J. and van de Streek, J. and Brammer, L. (2011) Different structural destinations: comparing reactions of [CuBr2(3-Brpy)(2)] crystals with HBr and HCl gas. CrystEngComm (13). pp. 4400-4404. ISSN 1466-8033

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Abstract

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.

ORCID iDs

Espallargas, G. M., Florence, A. J. ORCID logoORCID: https://orcid.org/0000-0002-9706-8364, van de Streek, J. and Brammer, L.;