Abstract
In the title compound, C20H20NO+·I−·2H2O, the cation is almost planar (r.m.s. deviation = 0.038 Å) and exists in an E configuration. The dihedral angle between the quinolinium ring system and the benzene ring is 0.7 (4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along [100] with π–π interactions between the pyridinium and ethoxybenzene rings [centroid–centroid distance = 3.678 (5) Å]. The cations, iodide anions and water molecules are linked together through O—H⋯O, O—H⋯I and C—H⋯I hydrogen bonds into a two-dimensional network parallel to (001).
Highlights
In the title compound, C20H20NO+ÁIÀÁ2H2O, the cation is almost planar (r.m.s. deviation = 0.038 A ) and exists in an E configuration
The cations are stacked in an anti-parallel manner along [100] with – interactions between the pyridinium and ethoxybenzene rings [centroid–centroid distance = 3.678 (5) A ]
For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986)
Summary
Absorption correction: multi-scan (SADABS; Bruker, 2009) Tmin = 0.493, Tmax = 0.927. R[F 2 > 2(F 2)] = 0.074 wR(F 2) = 0.211 S = 1.15 3910 reflections 220 parameters. 20 restraints H-atom parameters constrained Ámax = 2.43 e A À3 Ámin = À0.85 e A À3. C20H20NO+ÁIÀÁ2H2O, the cation is almost planar (r.m.s. deviation = 0.038 A ) and exists in an E configuration. The cations are stacked in an anti-parallel manner along [100] with – interactions between the pyridinium and ethoxybenzene rings [centroid–centroid distance = 3.678 (5) A ]. The cations, iodide anions and water molecules are linked together through O—HÁ Á ÁO, O—HÁ Á ÁI and C— HÁ Á ÁI hydrogen bonds into a two-dimensional network parallel to (001)
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