Date Published: June 01, 2010
Publisher: International Union of Crystallography
Author(s): Chanasuk Surasit, Suchada Chantrapromma, Kullapa Chanawanno, Hoong-Kun Fun.
In the title compound, 2C14H14N+·C6H4BrO3S−·I−, two crystallographically independent cations exist in an E configuration with respect to the C=C ethenyl bond. One cation is approximately planar, whereas the other is twisted slightly, the dihedral angles between the pyridinium and phenyl rings of each cation being 0.96 (15) and 7.05 (16)°. In the crystal structure, the cations are stacked in an antiparallel manner along the a axis through weak C—H⋯π interactions and π–π interactions, with centroid–centroid distances of 3.5544 (19) and 3.699 (2) Å. The 4-bromobenzenesulfonate anions and the cations are linked together by weak C—H⋯O interactions. A short Br⋯I contact [3.6373 (4) Å] and C—H⋯I interactions are also observed.
For bond-length data, see: Allen et al. (1987 ▶). For background to non-linear optical materials research, see: Chia et al. (1995 ▶); Pan et al. (1996 ▶); Prasad & Williams (1991 ▶). For related structures, see: Chantrapromma et al. (2006 ▶); Fun, Chanawanno & Chantrapromma (2009a ▶,b ▶): Fun, Surasit et al. (2009 ▶). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).