Bis{4-[(E)-2-(1H-indol-3-yl)ethen-yl]-1-methyl-pyridinium} 4-fluoro-benzene-sulfonate nitrate 0.25-hydrate.

ABSTRACT: In the title compound, 2C(16)H(15)N(2) (+)·C(6)H(4)FO(3)S(-)·NO(3) (-)·0.25H(2)O, the two cations are nearly planar, with dihedral angles of 1.34?(14) and 4.6?(2)°, respectively, between the pyridinium and indole rings. The cations each adopt E configurations with respect to the C=C bonds and are inclined to each other with a dihedral angle of 77.66?(5)°. The ethenyl group of one cation is disordered over two sites with occupancies of 0.685?(12) and 0.315?(12), and the sulfonate group of the 4-fluoro-benzene-sulfonate anion is also disordered with occupancies of 0.535?(10) and 0.465?(10) for the two sets of O atoms. The anion is also inclined to the two cations, with dihedral angles between the mean planes of the benzene ring and the ?-conjugated systems of the cations of 24.72?(11) and 79.83?(11)°. In the crystal structure, the cations are stacked in an anti-parallel fashion into columns approximately along the a axis and are further linked through the anions into a three-dimensional network via N-H?O and C-H?O inter-actions. The water mol-ecule forms O-H?O hydrogen bonds to the nitrate anion and C-H?? inter-actions are also observed.

SUBMITTER: Chantrapromma S 

PROVIDER: S-EPMC2968363 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature