Peng Yan
2004
Citations
0
Influential Citations
3
Citations
Journal
Chinese Journal of Structural Chemistry
Abstract
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/n, a = 4.567(2), b = 13.695(5), c = 9.376(9) ? b = 94.221(7)o, V = 584.8(4) 3, Mr = 240.28, Z = 2, Dc = 1.364 g/cm3, F(000) = 252, m(MoKa) = 0.090 mm-1, the final R = 0.0493 and wR = 0.1051 for 1254 observed reflections (I 2s(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)o.