The crystal structure of 2-methylthio-3-cyano-7-(4-methoxyphenyl)-pyrazolo[1,5- a]-pyrimidine (C15H12N4OS, Mr = 296.35) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to mono...The crystal structure of 2-methylthio-3-cyano-7-(4-methoxyphenyl)-pyrazolo[1,5- a]-pyrimidine (C15H12N4OS, Mr = 296.35) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 9.200(3), b = 15.570(5), c = 11.125(4) A,β= 114.273(6)°, V= 1452.7(8) A^3, Z= 4, De= 1.355 g/cm^3, μ= 0.227 mm^-1, F(000) = 616, R = 0.0499 and wR = 0.0949 for 2947 unique reflections with 1633 observed ones (I 〉 2σ(I)). The results show that all ring atoms in the pyrazolopyrimidine moiety are almost coplanar with a strong tensile force, which might be an important active site. The preliminary biological test shows that the title compound has moderate herbicidal activities.展开更多
文摘The crystal structure of 2-methylthio-3-cyano-7-(4-methoxyphenyl)-pyrazolo[1,5- a]-pyrimidine (C15H12N4OS, Mr = 296.35) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 9.200(3), b = 15.570(5), c = 11.125(4) A,β= 114.273(6)°, V= 1452.7(8) A^3, Z= 4, De= 1.355 g/cm^3, μ= 0.227 mm^-1, F(000) = 616, R = 0.0499 and wR = 0.0949 for 2947 unique reflections with 1633 observed ones (I 〉 2σ(I)). The results show that all ring atoms in the pyrazolopyrimidine moiety are almost coplanar with a strong tensile force, which might be an important active site. The preliminary biological test shows that the title compound has moderate herbicidal activities.