2010•Acta Crystallographica Section E Structure Reports OnlineOpen access

1-Methyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridinium iodide monohydrate

Hoong‐Kun Fun, Kullapa Chanawanno, Chanasuk Surasit, Suchada Chantrapromma

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Abstract

The asymmetric unit of the title compound, C(16)H(16)N(+)·I(-)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenyl-buta-1,3-dien-yl]}pyridinium cations, two iodide ions and two solvent water mol-ecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings being 10.68 (18)° in one mol-ecule and 18.9 (3)° in the other. The two water mol-ecules are disordered over three positions with site-occupancy ratio of 0.9/0.7/0.4. In the crystal packing, the cations are arranged into ribbons along the b axis with the iodide ions and water mol-ecules located between adjacent cations. The cations are linked to the iodide ions and water mol-ecules by weak C-H⋯I and C-H⋯O inter-actions, respectively. These inter-actions together with O-H⋯I hydrogen bonds link the mol-ecules into a two-dimensional network parallel to the bc plane. π⋯π inter-actions with a centroid-centroid distance of 3.669 (2) Å are also observed.

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What this paper is about

The asymmetric unit of the title compound, C(16)H(16)N(+)·I(-)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenyl-buta-1,3-dien-yl]}pyridinium cations, two iodide ions and two solvent water mol-ecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings being 10.68 (18)° in one mol-ecule and 18.9 (3)° in the other. The two water mol-ecules are disordered over three positions with site-occupancy ratio of 0.9/0.7/0.4. In the crystal packing, the cations are arranged into ribbons along the b axis with the iodide ions and water mol-ecules located between adjacent cations. The cations are linked to the iodide ions and water mol-ecules by weak C-H⋯I and C-H⋯O inter-actions, respectively. These inter-actions together with O-H⋯I hydrogen bonds link the mol-ecules into a two-dimensional network parallel to the bc plane. π⋯π inter-actions with a centroid-centroid distance of 3.669 (2) Å are also observed.

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Available abstract

The asymmetric unit of the title compound, C(16)H(16)N(+)·I(-)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenyl-buta-1,3-dien-yl]}pyridinium cations, two iodide ions and two solvent water mol-ecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings being 10.68 (18)° in one mol-ecule and 18.9 (3)° in the other. The two water mol-ecules are disordered over three positions with site-occupancy ratio of 0.9/0.7/0.4. In the crystal packing, the cations are arranged into ribbons along the b axis with the iodide ions and water mol-ecules located between adjacent cations. The cations are linked to the iodide ions and water mol-ecules by weak C-H⋯I and C-H⋯O inter-actions, respectively. These inter-actions together with O-H⋯I hydrogen bonds link the mol-ecules into a two-dimensional network parallel to the bc plane. π⋯π inter-actions with a centroid-centroid distance of 3.669 (2) Å are also observed.

Key concepts: Pyridinium, Iodide, Chemistry, Dihedral angle, Crystallography, Hydrogen bond, Ion, Solvent

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