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Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate
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 in...
Autores principales: | , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968363/ https://www.ncbi.nlm.nih.gov/pubmed/21581874 http://dx.doi.org/10.1107/S1600536809000026 |
Sumario: | 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-fluorobenzenesulfonate 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 π-conjugated systems of the cations of 24.72 (11) and 79.83 (11)°. In the crystal structure, the cations are stacked in an antiparallel 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 interactions. The water molecule forms O—H⋯O hydrogen bonds to the nitrate anion and C—H⋯π interactions are also observed. |
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