One-pot Synthesis, Characterization and Crystal Structure Determination of Novel 1,4,5-Trisubstituted 1,2,3-Triazole with Two Conformational Isomers: 1-Benzyl-5-((4-methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole

The title compound 1-benzy1-5-((4-methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole (C24H19N3O) was designed and synthesized using one-pot strategy and structural characterization was done by single-crystal X-ray diffraction, NMR, IR and MS. This compound was crystallized out from an ethanolic solution in triclinic system, space group P (1) over bar. with a = 9.9038(9), b = 10.2928(9), c = 18.8715(19) angstrom, alpha = 103.541(6), beta = 90.507(7), gamma = 97.157(7)degrees, V = 1854.2(3) angstrom(3), Z = 4, crystal size (mm) = 0.25 x 0.1 x 0.1 and R-int = 0.068. Its asymmetric unit contains two independent molecules. The crystal structure of the title compound is stabilized by intramolecular interactions of types C-H center dot center dot center dot N and C-H center dot center dot center dot O. Additionally, X-ray analysis reveals obvious C-H center dot center dot center dot pi, pi-pi stacking interactions between two adjacent aromatic ring planes.