1,1'-Dimethyl-4,4'-(2,4-di-1-naphthyl-cyclo-butane-1,3-di-yl)dipyridinium-(E)-1-methyl-4-[2-(1-naphth-yl)vin-yl]pyridinium-4-amino-benzene-sulfonate-water (0.25/1.50/2/2).

ABSTRACT: In the title compound, 1.5C(18)H(16)N(+)·0.25C(36)H(32)N(2) (2+)·2C(6)H(6)NO(3)S(-)·2H(2)O, the monocation exists in the E configuration with respect to the ethenyl C=C double bond and is almost planar, the dihedral angles between the pyridinium and the fused six-membered rings being 3.1?(7) and 3.8?(8)°. The dication lies about an inversion centre. In the crystal, the dication occupies almost the same site occupied by monocations at (x, y, z) and (-x, 1?-?y, 1?-?z). The anions and water mol-ecules are linked into a chain along the a axis by O-H?O and N-H?O hydrogen bonds. The structure is further stabilized by C-H?O hydrogen bonds and ?-? inter-actions between pyridinium and benzene rings, with centroid-centroid distances in the range 3.516?(9)-3.553?(8)?Å. The crystal is a twin with twin law, TWIN 0 0 0 0 1 0 1. The monocation and dication are disordered with fractional site occupancy ratio of 0.75:0.25.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2977246 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature