The crystal structure of the title compound 1-(4-fluorophenyl) -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H) -one(C23H21FN4O2S,Mr = 436.5) has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854(3) ,b = 17.2678(4) ,c = 18.1828(5) ,β = 99.364(2) °,V = 4332.58(18) 3,Z = 4,Dc = 1.338,F(000) =1824,μ = 0.185 mm-1,MoKa radiation(λ = 0.71073) ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I > 2σ(I) . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5(1H) -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.
The crystal structure of the title compound ethyl 3-(4-chlorophenyl)-3,4-dihydro-6-methyl-4-oxo-2-(pyrrolidin-1-yl)furo2,3-dpyrimidine-5-carboxylate(C20H20ClN3O4, Mr = 401.84) has been prepared and determined by single-crystal X-ray diffraction.The crystal is of monoclinic, space group P21/n with a = 20.6215(9), b = 8.5311(4), c = 21.6886(9) , β = 91.607(1)o, V = 3814.0(3) 3, Z = 8, Dc = 1.400 g/cm3, F(000) = 1680, μ = 0.233 mm-1, R = 0.0718 and wR = 0.1545 for 6717 observed reflections with I > 2σ(I).X-ray diffraction analysis reveals two crystallographically independent molecules in the asymmetric unit.
The crystal structure of the new title compound 2-ethoxy-3-n-butyl- benzofuro[2,3-d]pyrimidin-4(3H)-one (C16H18N2O3, Mr = 286.32) has been prepared and determined by single- crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 13.7167(14), b = 13.113(1), c = 8.378(1) , β = 98.992(2)°, V = 1488.4(3) 3, Z = 4, Dc = 1.278, F(000) = 608, μ = 0.089 mm-1, MoKa radiation (λ = 0.71073), R = 0.0498, wR = 0.1238 for 2336 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that all ring atoms in the benzo[4, 5]furo [2,3-d] pyrimi- dinone moieties are almost coplanar.
