Halogen Bonding of N-Bromophthalimide by Grinding and Solution Crystallization (CROSBI ID 248431)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Eraković, Mihael ; Nemec, Vinko ; Lež, Tomislav ; Porupski, Ivan ; Stilinović, Vladimir ; Cinčić, Dominik
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
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Podaci o izdanju
18 (2)
2018.
1182-1190
objavljeno
1528-7483
1528-7505
10.1021/acs.cgd.7b01651