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) Å, b = 99.364(2)°, V = 4332.58(18) Å3, 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 > 2s(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 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) Å, b = 99.364(2)°, V = 4332.58(18) Å3, 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 > 2s(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.
2011, Vol. 30 
