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Structure of 3-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole. 1990

R D Rogers, and M G Park, and D N Kevill
Department of Chemistry, Northern Illinois University, DeKalb 60115.

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.

UI MeSH Term Description Entries
D014230 Triazoles Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3. Triazole
D014961 X-Ray Diffraction The scattering of x-rays by matter, especially crystals, with accompanying variation in intensity due to interference effects. Analysis of the crystal structure of materials is performed by passing x-rays through them and registering the diffraction image of the rays (CRYSTALLOGRAPHY, X-RAY). (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) Xray Diffraction,Diffraction, X-Ray,Diffraction, Xray,Diffractions, X-Ray,Diffractions, Xray,X Ray Diffraction,X-Ray Diffractions,Xray Diffractions
D015394 Molecular Structure The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds. Structure, Molecular,Molecular Structures,Structures, Molecular

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