3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) dibromide hemihydrate.

ABSTRACT: The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(-)·0.5H(2)O, contains one 3,3'-[1,2-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, two bromide anions and one half-mol-ecule of water. In the crystal, the whole 3,3'-[1,2-phen-yl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation and one of the bromide anions are each disordered over two positions with site-occupancy ratios of 0.751?(6):0.249?(6) and 0.680?(8):0.320?(8). For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6?(5) and 88.2?(4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2?(15) and 84.9?(13)°. In the crystal, the cations and anions are linked by C-H?Br hydrogen bonds into dimers and then stacked along the c axis. The crystal packing is further stabilized by C-H?? and ?-? inter-actions [shortest centroid-centroid distance = 3.646?(4)?Å].

SUBMITTER: Iqbal MA 

PROVIDER: S-EPMC3275219 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature