Synthesis and Crystal Structure of 5-Allyl-2,3-dihydro-9-(2-hydroxy-5-oxocyclopent-1-enyl)-cyclopenta[b]chromen-1(9H)-one Monohydrate

【摘要】 The title compound 5-allyl-2,3-dihydro-9-(2-hydroxy-5-oxocyclopent-1-enyl)-cyclopenta[b]chromen-1(9H)-one monohydrate(C20H18O4.H2O,Mr = 340.36) was synthesized and crystallized.It crystallizes in the triclinic system,space group P with a = 8.5840(17),b = 8.7027(17),c = 11.561(2),α = 89.69(3),β = 74.33(3),γ = 86.13(3)°,V = 829.6(3)3,Z = 2,Dc = 1.363 g/cm3,MoKa radiation(λ = 0.71073 ),F(000) = 360,μ = 0.098 mm-1,the final R = 0.0430 and wR = 0.1008 for 2957 observed reflections with(I > 2σ(I)).X-ray analysis reveals that atoms C(1),C(2),C(3),C(4),C(5) and O(1) on the new pyran ring are coplanar,which is obviously different from the half-chair or boat conformations of other similar compounds.更多还原

【Abstract】 The title compound 5-allyl-2,3-dihydro-9-(2-hydroxy-5-oxocyclopent-1-enyl)-cyclopenta[b]chromen-1(9H)-one monohydrate(C20H18O4.H2O,Mr = 340.36) was synthesized and crystallized.It crystallizes in the triclinic system,space group P with a = 8.5840(17),b = 8.7027(17),c = 11.561(2),α = 89.69(3),β = 74.33(3),γ = 86.13(3)°,V = 829.6(3)3,Z = 2,Dc = 1.363 g/cm3,MoKa radiation(λ = 0.71073 ),F(000) = 360,μ = 0.098 mm-1,the final R = 0.0430 and wR = 0.1008 for 2957 observed reflections with(I > 2σ(I)).X-ray analysis reveals that atoms C(1),C(2),C(3),C(4),C(5) and O(1) on the new pyran ring are coplanar,which is obviously different from the half-chair or boat conformations of other similar compounds.更多还原