engleski

Halogen Bonding of N-Bromophthalimide by Grinding and Solution Crystallization

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.

cocrystals ; computational chemistry ; crystallization ; mechanochemistry ; N-bromophthalimide

nije evidentirano