1,3-Bis[(3-allyl-imidazol-3-ium-1-yl)meth-yl]benzene bis-(hexa-fluoridophosphate).

ABSTRACT: In the title compound, C(20)H(24)N(4) (2+)·2PF(6) (-), the ethene and 3-allyl-imidazolium moieties of the cation are disordered over two positions with refined site occupancies of 0.664?(19):0.336?(19) and 0.784?(7):0.216?(7), respectively, whereas four F atoms of one hexa-fluoridophosphate anion and all atoms in the other hexa-fluoridophosphate anion are disordered over two positions with refined site occupancies of 0.764?(5):0.2365) and 0.847?(9):0.153?(9), respectively. The benzene ring is inclined at angles of 78.2?(3), 81.3?(4) and 73.9?(12)° with the 1H-imidazol-3-ium ring and the major and minor components of the disordered 1H-imidazol-3-ium ring, respectively. In the crystal, the hexa-fluoridophosphate anions link the cations into two-dimensional networks parallel to (001) via inter-molecular C-H?F hydrogen bonds. The crystal structure is further consolidated by ?-? [centroid-centroid distance = 3.672?(3)?Å] and C-H?? inter-actions.

SUBMITTER: Haque RA 

PROVIDER: S-EPMC3050142 | biostudies-other | 2010

REPOSITORIES: biostudies-other