Cargando…
1-Methyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridinium iodide monohydrate
The asymmetric unit of the title compound, C(16)H(16)N(+)·I(−)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenylbuta-1,3-dienyl]}pyridinium cations, two iodide ions and two solvent water molecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings bein...
Autores principales: | , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983716/ https://www.ncbi.nlm.nih.gov/pubmed/21580404 http://dx.doi.org/10.1107/S1600536810006045 |
Sumario: | The asymmetric unit of the title compound, C(16)H(16)N(+)·I(−)·H(2)O, contains two 1-methyl-4-{[(1E,3E)-4-phenylbuta-1,3-dienyl]}pyridinium cations, two iodide ions and two solvent water molecules. The cation is twisted slightly, the dihedral angle between the pyridinium and the phenyl rings being 10.68 (18)° in one molecule and 18.9 (3)° in the other. The two water molecules 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 molecules located between adjacent cations. The cations are linked to the iodide ions and water molecules by weak C—H⋯I and C—H⋯O interactions, respectively. These interactions together with O—H⋯I hydrogen bonds link the molecules into a two-dimensional network parallel to the bc plane. π⋯π interactions with a centroid–centroid distance of 3.669 (2) Å are also observed. |
---|