(E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate

Abstract

The asymmetric unit of the title compound, C18H23N2 +·C6H5O3S−·H2O, comprises a 2-[4-(diethyl­amino)­styr­yl]-1-methyl­pyridinium cation, a benzene­sulfonate anion and a solvent water mol­ecule. One ethyl substituent of the diethyl­amino group of the cation is disordered over two positions in a 0.73789 (9):0.26211 (9) ratio. The cation exists in the E configuration with respect to the C=C bond and the π-conjugated system is essentially planar with a dihedral angle of 0.82 (10)° between the pyridinium and benzene rings. The cation and anion are almost orthogonal with a dihedral angle of 86.71 (10)° between the π-conjugated system of the cation and benzene ring of the anion. In the crystal, mol­ecules are arranged into chains along [001] and adjacent chains are linked by weak C—H⋯O inter­actions. The crystal is further stablilized by O—H⋯O hydrogen bonds and weak C—H⋯π inter­actions.

(E)-2-[4-(Diethylamino)styryl]-1-methylquinolinium 4-fluorobenzenesulfonate monohydrate

“…The asymmetric unit of (I) ( ethylamino group deviates from the attached benzene ring which can be indicated by the torsion angles C15-N2-C18-C19 = -78.4 (6)° and C15-N2-C20-C21 = 78.1 (6)° for the major component A whereas these values are 95 (2) and -82 (2)° for the minor component B. The bond lengths are in normal ranges (Allen et al, 1987) and comparable with some related structures (Fun et al, 2010(Fun et al, ,2011Kaewmanee et al, 2010).…”

“…The asymmetric unit of (I) (Fig. 1 (Allen et al, 1987) and comparable with some related structures (Fun et al, 2010(Fun et al, ,2011Kaewmanee et al, 2010).…”

“…For background to and applications of quarternary ammonium compounds, see: Babalola (1998); Collier et al (1953); Gutsulyak (1972); Chanawanno et al (2010a,b). For related structures, see: Fun et al (2010Fun et al ( , 2011; Kaewmanee et al (2010). For standard bond lengths, see: Allen et al (1987).…”

(E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-chlorobenzenesulfonate monohydrate

“…The cation and anion are inclined to each other as indicated by the dihedral angles between the pyridinium and benzene rings of cation, and the sulfonate substituted benzene ring being 83.96 (10) and 86.97 (11)°, respectively. The bond lengths are in normal ranges (Allen et al, 1987) and comparable with a related structures (Fun et al, 2011;Kaewmanee et al, 2010).…”

“…For background to and the application of quarternary ammonium compounds as disinfectants, see: Brown & Skurray (2001); Chanawanno, Chantrapromma, Anantapong, Kanjana-Opas & Fun (2010); Domagk (1935); Endo et al (1987); Fun et al (2011); Wainwright & Kristiansen (2003). For a related structure, see: Fun et al (2011); Kaewmanee et al (2010). For the synthesis, see: .…”