(E)-4-[2-(4-Eth-oxy-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate methanol hemisolvate.

ABSTRACT: In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(-)·0.5CH(3)OH, the cation exists in the E configuration and the whole mol-ecule of the cation, except for the O atom of the eth-oxy group, is disordered with a site-occupancy ratio of 0.695?(5):0.305?(5). The cation is disordered in such a way that the ethenyl units of the major and minor components are related by 180° around the long mol-ecular axis. In the major component, the cation is almost planar, the dihedral angle between the pyridinium and benzene rings being 0.8?(3)°, whereas in the minor component, the dihedral angle between the two aromatic rings is 4.2?(6)°. In the crystal, the cations are stacked in an anti-parallel manner along the a axis, while the anions and methanol mol-ecules are linked through O-H?O hydrogen bonds and Br?O short contacts [3.0248?(13)?Å] into a tape along the same direction. The three components are further linked by weak C-H?O, C-H?Br and C-H?? inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3050231 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature