Structure of 3-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole.
C15H13N3O, Mr = 251.29, triclinic, P-1, a = 9.294, (1), b = 11.394 (4), c = 13.375 (2) A, a = 103.60 (2), beta = 96.82 (1), gamma = 107.47 (2) degrees, V = 1285 A3, Z = 4, Dx = 1.30 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 0.92 cm-1, F(000) = 528, T = 295 K, final R = 0.045 for 2311 observed [Fo greater than or equal to 5 sigma(Fo)] reflections. There are two molecules in the asymmetric unit. The triazole rings are planar with the phenyl substituents twisted with respect to these planes. The two molecules in the asymmetric unit are different in the relative twists of the phenyl groups.
Rogers
R D
RD
Department of Chemistry, Northern Illinois University, DeKalb 60115.
Park
M G
MG
Kevill
D N
DN
D015394:Molecular Structure; D014230:Triazoles / Q000737:chemistry*; D014961:X-Ray Diffraction
D014230:Triazoles; C067742:3-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole