Jiun-Wei Hu, Kew-Yu Chen
Dec 12, 2015
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Journal
Molecular Crystals and Liquid Crystals
Abstract
The title compound, (Z)-4-(2-methoxybenzylidene)-1-methyl-2-phenyl-1H-imidazol-5(4H)-one (1), was synthesized and characterized. Compound 1 possesses two weak intramolecular C–H···O and C–H···N hydrogen bonds, which generate S(5) and S(6) rings, respectively. Intermolecular π–π stacking between the imidazolone ring and its adjacent one is observed in the crystal structure, which links a pair of molecules into a cyclic centrosymmetric dimer. Furthermore, two different C–H···π interactions lead to the formation of columns along the [100] direction that are connected to one another via intermolecular C–H···O hydrogen bonds, so linking the molecules into a continuous three-dimensional framework. Its spectroscopic properties and complementary density functional theory calculations are also reported.