Crystal and Molecular Structure of 2-(2-Methoxycarboxyl)phenyloxy-5 ,7-dim ethyl-1 ,2 ,4-triazolo〔1 ,5-a〕pyrimidine

摘要

The crystal structure of the title compound has been determined by single crystal X ray diffraction analysis. C 15 H 14 N 4O 3, M r =298.30, monoclinic, space group P2 1/n, a=9.483(9), b=11.078(9), c=13.700(9), β=100.19(7)°, V=1417(4) 3, Z=4, D x =1.399 g.cm -3 , μ =0.0942 mm -1 ; F (000)=624, final R =0.074 and R w =0.074 for 1502 observed reflections〔 I≥3σ(I )〕. The results show that all ring atoms in the triazolopyrimidinyl moiety were coplanar with strong tensile force, which might be an important active site.