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Halogen Bonding of N‑Bromophthalimide by Grinding and Solution Crystallization

Version 2 2018-01-19, 12:51
Version 1 2018-01-19, 12:48
Posted on 2018-01-19 - 12:51
A series of 10 cocrystals derived from N-bromophthalimide and nitrogen bases (pKa from 3.2 to 8.8) have been prepared by both crystallization from solution and mechanochemically (liquid-assisted grinding). All 10 structures exhibit molecular complexes interconnected by short Br···N halogen bonds involving N-bromophthalimide bromine and a nitrogen atom. The enthalpies of complexation have been calculated to range between −30 and −50 kJ mol–1, indicating fairly strong halogen bonds. Bond lengths and energies generally follow the basicity of the used halogen bond acceptor.

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