Synthesis and Crystal Structure of 1,4-Bis(1H-1,2,4-triazol-1-methyl)benzene

摘要

The title compound 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C12H12N6, mono- clinic, space group P21, a = 4.567(2), b = 13.695(5), c = 9.376(9)A β= 94.221(7)o, V = 584.8(4)A3, Mr = 240.28, Z = 2, Dc = 1.364 g/cm3, F(000) = 252,μ(MoKα)= 0.090 mm－1, the final R = 0.0493 and wR = 0.1051 for 1254 observed reflections (I > 2σ(I)). The molecule has a symmetry center which locates at the center of the phenyl ring. The dihedral angle between the planes of triazole and phenyl rings is 77.81(9)°.