Synthesis and Crystal Structure of 3-(2-Hydroxy-phenyl)-5-(2-methyl-phenyl)-6-thoxycarbonyl-cyclohexen-2-one

摘要

3-(2-Hydroxy-phenyl)-5-(2-methyl-phenyl)-6-ethoxycarbonyl-cyclohexen-2-one has been synthesized and characterized by elemental analysis, IR, UV, 1H NMR and MS, and its crystal structure was determined by X-ray single-crystal diffraction method. The crystal belongs to the monoclinic system, space group P21/c with a = 14.6298(13), b = 5.8623(5), c = 22.255(2) (A), β = 105.855(2)o, V = 1836.0(3) (A)3, Mr = 350.40, Z = 4, Dc = 1.268 g/cm3, F(000) = 744, μ(MoKα) = 0.086 mm-1, R = 0.0680 and wR = 0.1498. The crystal analysis results show that the cyclohexene unit of the title compound has a quasi-chair conformation, and a centrosymmetric dimer with a 16-membered ring is produced by the intermolecular hydrogen bonds.