Synthesis and Crystal Structure of 3-Phenyl-6-(4-methylphenyl)-1,2,4-triazolo4,3-b-1,2,4-triazine

摘要

The crystal structure of the title compound 3-phenyl-6-(4-methylphenyl)-1,2,4-triazolo[4,3-b]-1,2,4-triazine (C17H13N5,Mr = 287.32) was synthesized and determined by singlecrystal X-ray diffraction.It belongs to monoclinic,space group P21/c,with a = 11.4038(18),b =11.7675(18),c = 11.0904(18) (A),β = 108.439(7)°,V= 1411.9(4)(A)3,Z = 2,Dc = 1.352 g/cm3,μ =0.085 mm-1,F(000) = 600,R = 0.0445 and wR = 0.1041 for 2888 unique reflections with 1501 observed ones (I ＞2σ(I)).In the crystal structure,the triazine moiety is almost coplanar with the triazole ring,and the largest deviation for atom C(4) is -0.026 (A).The intermolecular hydrogen bond in the crystal lattice plays an important role in stabilizing the structure.