【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 determin
【机 构】
:
College of Chemistry and Molecular Engineering
【基金项目】
:
国家自然科学基金;山东省自然科学基金
论文部分内容阅读
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.
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