【摘 要】
：
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-
【机 构】
：
College of Chemistry and Molecular Engineering
论文部分内容阅读
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, Dc = 1.355 g/cm3, 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.
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