Synthesis and Crystal Structure of 2,2-Dimethyl-4-[1H-(1,2,4-triazolyl)]-4-[1H-benzotriazolyl]-3-but

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The title compound, [t-BuCOCH(C2H2N3)(C6H4N3)], has been prepared and characterized by elemental analysis, IR spectrum and X-ray studies. It crystallizes in monoclinic, space group C2/c with a = 11.563(3), b = 10.906(3), c = 23.602(5)A, β = 98.35(3)°,C14H1bN6o, Mr = 284.33, V= 2944.8(13) A3, Z = 8, Dc= 1.283 g/cm3, F(000) = 1200, μ = 0.087mm-1, R = 0.0535 and wR = 0.1046. The crystal structure consists of discrete 2,2-dimethyl-4-[1H-(1,2,4-triazolyl)]-4-[1H-benzotriazolyl]-3-butanones. The planes of carbonyl group and benzotriazole ring form the dihedral angle of 89.14(1)°. The molecules of the title compound are connected to each other through extensive hydrogen bonds to form hydrogen networks. Elemental analysis and IR spectra are in good agreement with the structural data.
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