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(E)-1-Methyl-4-styrylpyridinium iodide monohydrate.

ABSTRACT: In the title compound, C(14)H(14)N(+)·I(-)·H(2)O, the cation is essentially planar, with a dihedral angle of 2.55?(7)° between the pyridinium and phenyl rings, and exists in an E configuration with respect to the ethenyl bond. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis. The cation is linked to the water mol-ecule by a weak C-H?O inter-action, and the water mol-ecule is further linked to the I(-) ion by O-H?I hydrogen bonds. The crystal structure is consolidated by these inter-actions and is further stabilized by a ?-? inter-action between the pyridinium and phenyl rings with a centroid-centroid distance of 3.6850?(8)?Å.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2971221 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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(E)-1-Methyl-4-styrylpyridinium iodide monohydrate.

Fun Hoong-Kun HK Chantrapromma Suchada S Surasit Chanasuk C Chanawanno Kullapa K

Acta crystallographica. Section E, Structure reports online 20091010 Pt 11

In the title compound, C(14)H(14)N(+)·I(-)·H(2)O, the cation is essentially planar, with a dihedral angle of 2.55 (7)° between the pyridinium and phenyl rings, and exists in an E configuration with respect to the ethenyl bond. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis. The cation is linked to the water mol-ecule by a weak C-H⋯O inter-action, and the water mol-ecule is further linked to the I(-) ion by O-H⋯I hydrogen bonds. The crystal structure ...[more]

PMID: 21578284

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