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2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-pyridinium iodide monohydrate.

ABSTRACT: In the title compound, C(16)H(18)NO(+)·I(-)·H(2)O, the cation is essentially planar, with a dihedral angle of 3.13?(16)° between the pyridinium and benzene rings. The mol-ecule adopts an E configuration with respect to the alkene double bond. In the crystal structure, the cations are packed in an anti--parallel manner through ?-? inter-actions between adjacent pyridinium and benzene rings along the a axis, with centroid-to-centroid distances of 3.615?(2) and 3.630?(2)?Å. Water mol-ecules bind the iodide ions through O-H?I hydrogen bonds into layers. These layers link with the cations through weak C-H?O and C-H?I inter-actions.

SUBMITTER: Laksana C

PROVIDER: S-EPMC2915214 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-pyridinium iodide monohydrate.

Laksana Chotika C Ruanwas Pumsak P Chantrapromma Suchada S Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(16)H(18)NO(+)·I(-)·H(2)O, the cation is essentially planar, with a dihedral angle of 3.13 (16)° between the pyridinium and benzene rings. The mol-ecule adopts an E configuration with respect to the alkene double bond. In the crystal structure, the cations are packed in an anti--parallel manner through π-π inter-actions between adjacent pyridinium and benzene rings along the a axis, with centroid-to-centroid distances of 3.615 (2) and 3.630 (2) Å. Water mol-ecules bind th ...[more]

PMID: 21200710

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