Synthesis and Crystal Structure of 3-(2,4-Dichlorophenyl)-4-dydroxy-5-cyclohexanyl-△~3-dihydrofuran-2-one

【摘要】 The title compound 3-(2,4-dichlorophenyl)-4-dydroxy-3-(2,4-dichlorophenyl)-4- dydroxy-5-cyclohexanyl-△3-dihydrofuran-2-one 5 has been synthesized by the cyclization of methyl O-(2,4-dichlorophenyl-acetyl)-1-hydroxycyclo-hexane-carboxylate 4, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group Pī with a = 6.8192(3), b = 10.5053(5), c = 10.5811(5) , α = 71.681(10), β = 78.905(12), γ = 81.036(12)o, C15H14Cl2O3, Mr = 313.18, V = 702.44(6) 3, Z = 2, Dc = 1.481 g/cm3, F(000) = 324, μ = 0.465 mm–1, S = 1.006, the final R = 0.0331 and wR = 0.1363 for 2505 observed reflections with I > 2σ(I) and 183 variable parameters. The crystal analysis shows that the cyclohexene unit of the title compound has a quasi-chair conformation, and a one-dimensional chain structure is formed via the intermolecular hydrogen bond O(1)–H(101)···O(2).更多还原

【Abstract】 The title compound 3-(2,4-dichlorophenyl)-4-dydroxy-3-(2,4-dichlorophenyl)-4- dydroxy-5-cyclohexanyl-△3-dihydrofuran-2-one 5 has been synthesized by the cyclization of methyl O-(2,4-dichlorophenyl-acetyl)-1-hydroxycyclo-hexane-carboxylate 4, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group Pī with a = 6.8192(3), b = 10.5053(5), c = 10.5811(5) , α = 71.681(10), β = 78.905(12), γ = 81.036(12)o, C15H14Cl2O3, Mr = 313.18, V = 702.44(6) 3, Z = 2, Dc = 1.481 g/cm3, F(000) = 324, μ = 0.465 mm–1, S = 1.006, the final R = 0.0331 and wR = 0.1363 for 2505 observed reflections with I > 2σ(I) and 183 variable parameters. The crystal analysis shows that the cyclohexene unit of the title compound has a quasi-chair conformation, and a one-dimensional chain structure is formed via the intermolecular hydrogen bond O(1)–H(101)···O(2).更多还原