1-Methyl-4-[(1E,3E)-4-phenyl-buta-1,3-dien-yl]pyridinium iodide monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(16)H(16)N(+)·I(-)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenyl-buta-1,3-dien-yl]}pyridinium cations, two iodide ions and two solvent water mol-ecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings being 10.68?(18)° in one mol-ecule and 18.9?(3)° in the other. The two water mol-ecules are disordered over three positions with site-occupancy ratio of 0.9/0.7/0.4. In the crystal packing, the cations are arranged into ribbons along the b axis with the iodide ions and water mol-ecules located between adjacent cations. The cations are linked to the iodide ions and water mol-ecules by weak C-H?I and C-H?O inter-actions, respectively. These inter-actions together with O-H?I hydrogen bonds link the mol-ecules into a two-dimensional network parallel to the bc plane. ??? inter-actions with a centroid-centroid distance of 3.669?(2)?Å are also observed.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2983716 | biostudies-other | 2010

REPOSITORIES: biostudies-other