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Synthesis and Crystal Structure of 2-Oxo-3-phenyl-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate 被引量:2

Synthesis and Crystal Structure of 2-Oxo-3-phenyl-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate
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摘要 The title compound 2-oxo-3-phenyl-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate 6 (C22H19ClO4, Mr = 382.82) has been synthesized by the condensation reaction of 4-hydroxy-3-phenyl-1-oxaspiro[4.5]dec-3-en-2-one 5 with 4-chlorobenzoyl chloride, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 10.6749(11), b = 6.0573(7), c = 29.680(2) A, β = 94.073(3)°, V= 1914.3(3) A^3, Z = 4, Dc = 1.328 g/cm^3, F(000) = 800, μ = 0.224 mm^-1, S = 1.003, the final R = 0.0605 and wR = 0.1500 for 1828 observed reflections with I〉 2σ(I) and 244 variable parameters. The crystal analysis shows that the molecular structure of the title compound has one planar furan ring, one chair conformation cyclohexane ring and two benzene rings. The furan and cyclohexane rings adopt whorl conformations. The title compound 2-oxo-3-phenyl-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate 6 (C22H19ClO4, Mr = 382.82) has been synthesized by the condensation reaction of 4-hydroxy-3-phenyl-1-oxaspiro[4.5]dec-3-en-2-one 5 with 4-chlorobenzoyl chloride, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 10.6749(11), b = 6.0573(7), c = 29.680(2) A, β = 94.073(3)°, V= 1914.3(3) A^3, Z = 4, Dc = 1.328 g/cm^3, F(000) = 800, μ = 0.224 mm^-1, S = 1.003, the final R = 0.0605 and wR = 0.1500 for 1828 observed reflections with I〉 2σ(I) and 244 variable parameters. The crystal analysis shows that the molecular structure of the title compound has one planar furan ring, one chair conformation cyclohexane ring and two benzene rings. The furan and cyclohexane rings adopt whorl conformations.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第11期1675-1679,共5页 结构化学(英文)
基金 Supported by the National Natural Science Foundation of China (Nos. 31101470 and 30700532)
关键词 spiroyclic tetronic acid SPIROTETRAMAT synthesis crystal structure spiroyclic tetronic acid, spirotetramat, synthesis, crystal structure
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