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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.
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 , The final R = 0.0493 and wR = 0.1051 for 1254 observed reflections (I> 2s (I)). The molecular has (D> = 1.364 g / cm3, F (000) = 252, m (MoKa) = 0.090 mm- 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.