摘要
The crystal and molecular structures of (E,E)-1,10-bis-(4-fluorophenyl)-3,8-dime- thyl-deca-3,7-diene-1,10-dione have been determined by X-ray diffraction method. The crystal (C24- H24F2O2, Mr = 382.45) is of monoclinic, space group P21/c, a = 11.0392(5), b = 11.3620(4), c = 7.9361(3) ?, β = 97.423(2)o, V = 987.06(7) ?3, Z = 2, Dc = 1.287 g/cm3, μ(Mo-Kα) = 0.93 cm-1, λ = 0.7107 ?, F(000) = 404.00, the final R = 0.0530 and wR = 0.150 for 1348 observed reflections (I > 2σ(I)). X-ray analysis revealed that there exists a double bond in C(9)–C(11) with the bond length of 1.324(3) ?, while the C(8)–C(9) bond length is 1.508(3) ? and it may be assigned to a single bond. These results show that the C=C bond is not conjugated with the C=O bond.
The crystal and molecular structures of (E,E)-1,10-bis-(4-fluorophenyl)-3,8-dime- thyl-deca-3,7-diene-1,10-dione have been determined by X-ray diffraction method. The crystal (C24- H24F2O2, Mr = 382.45) is of monoclinic, space group P21/c, a = 11.0392(5), b = 11.3620(4), c = 7.9361(3) ?, β = 97.423(2)o, V = 987.06(7) ?3, Z = 2, Dc = 1.287 g/cm3, μ(Mo-Kα) = 0.93 cm-1, λ = 0.7107 ?, F(000) = 404.00, the final R = 0.0530 and wR = 0.150 for 1348 observed reflections (I > 2σ(I)). X-ray analysis revealed that there exists a double bond in C(9)–C(11) with the bond length of 1.324(3) ?, while the C(8)–C(9) bond length is 1.508(3) ? and it may be assigned to a single bond. These results show that the C=C bond is not conjugated with the C=O bond.
基金
This work was supported by the National Natural Science Foundation of China (No. 20072033)
Specialized Research Fund for the Doctoral Program of Higher Education of China
