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1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]-pyridinium iodide.

ABSTRACT: In the title compound, C(17)H(20)NO(3) (+)·I(-), the cation exists in the E configuration. The pyridinium and benzene rings are close to coplanar, with a dihedral angle of 7.43?(12)° between them. The three meth-oxy groups of 2,4,5-trimeth-oxy-phenyl are essentially coplanar with the benzene plane, with C-O-C-C torsion angles of 1.0?(3), -1.9?(3) and 3.6?(3)°. A weak intra-molecular C-H?O inter-action generates an S(6) ring motif. In the crystal, the cations are stacked in columns in an anti-parallel manner along the a axis through ?-? inter-actions, with a centroid-centroid distance of 3.7714?(16)?Å. The iodide anion is situated between the columns and linked to the cation by a weak C-H?I inter-action.

SUBMITTER: Mueangkeaw C

PROVIDER: S-EPMC3011747 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]-pyridinium iodide.

Mueangkeaw Charoensak C Chantrapromma Suchada S Ruanwas Pumsak P Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101106 Pt 12

In the title compound, C(17)H(20)NO(3) (+)·I(-), the cation exists in the E configuration. The pyridinium and benzene rings are close to coplanar, with a dihedral angle of 7.43 (12)° between them. The three meth-oxy groups of 2,4,5-trimeth-oxy-phenyl are essentially coplanar with the benzene plane, with C-O-C-C torsion angles of 1.0 (3), -1.9 (3) and 3.6 (3)°. A weak intra-molecular C-H⋯O inter-action generates an S(6) ring motif. In the crystal, the cations are stacked in columns in an anti-par ...[more]

PMID: 21589405

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1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]-pyridinium benzene-sulfonate mono-hydrate.

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