Inorganic bromine in organic molecular crystals: Database survey and four case studies (CROSBI ID 232069)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Nemec, Vinko ; Lisac, Katarina ; Stilinović, Vladimir ; Cinčić, Dominik
engleski
Inorganic bromine in organic molecular crystals: Database survey and four case studies
We present a Cambridge Structural Database and experimental study of multicomponent molecular crystals containing bromine. The CSD study covers supramolecular behaviour of bromide and tribromide anions as well as halogen bonded dibromine molecules in crystal structures of organic salts and cocrystals, and a study of the geometries and complexities in polybromide anion systems. In addition, we present four case studies of organic structures with bromide, tribromide and polybromide anions as well as the neutral dibromine molecule. These include the first observed crystal with diprotonated phenazine, a double salt of phenazinium bromide and tribromide, a cocrystal of 4-methoxypyridine with the neutral dibromine molecule as a halogen bond donor, as well as bis(4-methoxypyridine)bromonium polybromide. Structural features of the four case studies are in the most part consistent with the statistically prevalent behaviour indicated by the CSD study for given bromine species, although they do exhibit some unorthodox structural features and in that indicate possible supramolecular causes for aberrations from the statistically most abundant (and presumably most favourable) geometries.
molecular crystals ; bromine ; bromide ; tribromide ; cocrystals
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Podaci o izdanju
1128
2017.
400-409
objavljeno
0022-2860
1872-8014
10.1016/j.molstruc.2016.08.034