The crystal structure of the title compound, C26H27O6P, has been determined by single--crystal X-ray diffraction. The crystal is monoclinic with space groupP21, a=16. 193(l), b=5. 804(1), c=12. 512(2) A, β=93. 187(5)...The crystal structure of the title compound, C26H27O6P, has been determined by single--crystal X-ray diffraction. The crystal is monoclinic with space groupP21, a=16. 193(l), b=5. 804(1), c=12. 512(2) A, β=93. 187(5)°, V=1174. 13A3, Dc=1. 319 g/cm3, F(000) =492, μ= 13. 52 cm-1, Z= 2, and final R= 0. 042and Rw= 0. 040 for 2349 reflections (I≥3σ(I)). Structure analysis revealed that thepyranose and 4, 6-O-benzylidene ring of the title compound adopts a distorted chair conformation.展开更多
Hydroxy-phenyl)-5-(2-methyl-phenyl)-6-ethoxycarbonyl-cyclohexen-2-one has been synthesized and characterized by elemental analysis, IR, UV, H NMR and MS, and its crystal 1 structure was determined by X-ray single-crys...Hydroxy-phenyl)-5-(2-methyl-phenyl)-6-ethoxycarbonyl-cyclohexen-2-one has been synthesized and characterized by elemental analysis, IR, UV, H NMR and MS, and its crystal 1 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) ?, β = 105.855(2)o, V = 1836.0(3) ?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.展开更多
文摘The crystal structure of the title compound, C26H27O6P, has been determined by single--crystal X-ray diffraction. The crystal is monoclinic with space groupP21, a=16. 193(l), b=5. 804(1), c=12. 512(2) A, β=93. 187(5)°, V=1174. 13A3, Dc=1. 319 g/cm3, F(000) =492, μ= 13. 52 cm-1, Z= 2, and final R= 0. 042and Rw= 0. 040 for 2349 reflections (I≥3σ(I)). Structure analysis revealed that thepyranose and 4, 6-O-benzylidene ring of the title compound adopts a distorted chair conformation.
基金This work was financially supported by the Education Committee of Hunan Province (02C465)Hunan Provincial Key Discipline and Hunan Provincial General College Leader of Learning
文摘Hydroxy-phenyl)-5-(2-methyl-phenyl)-6-ethoxycarbonyl-cyclohexen-2-one has been synthesized and characterized by elemental analysis, IR, UV, H NMR and MS, and its crystal 1 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) ?, β = 105.855(2)o, V = 1836.0(3) ?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.
