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2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methylpyridinium iodide monohydrate.

ABSTRACT: In the title compound, C(14)H(13)ClN(+)·I(-)·H(2)O, the cation is nearly planar and exists in an E configuration; the dihedral angle between the pyridinium and benzene rings is 0.98?(17)°. The cations stack in an anti-parallel manner along the a axis through two ?-? inter-actions between the pyridinium and benzene rings [centroid-centroid distances 3.569?(2) and 3.6818?(13)?Å, respectively]. The cation, anion and water mol-ecule are linked into a chain along the a axis by weak C-H?O and C-H?I inter-actions together with O-H?I hydrogen bonds and the chains are further connected into a three-dimensional network.

SUBMITTER: Chanawanno K

PROVIDER: S-EPMC2959251 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methylpyridinium iodide monohydrate.

Chanawanno Kullapa K Chantrapromma Suchada S Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20080906 Pt 10

In the title compound, C(14)H(13)ClN(+)·I(-)·H(2)O, the cation is nearly planar and exists in an E configuration; the dihedral angle between the pyridinium and benzene rings is 0.98 (17)°. The cations stack in an anti-parallel manner along the a axis through two π-π inter-actions between the pyridinium and benzene rings [centroid-centroid distances 3.569 (2) and 3.6818 (13) Å, respectively]. The cation, anion and water mol-ecule are linked into a chain along the a axis by weak C-H⋯O and C-H⋯I in ...[more]

PMID: 21201095

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