The crystal structure of 1-(N1-benzyl-2-methyl-4-nitro-imidazol-5-yl)-4-(prop-2-yn-1-yl) piperazine, C₁₈H₂₁N₅O₂

Abstract

C18H21N5O2, monoclinic, P21/c (no. 4), a = 10.0914(6) Å, b = 11.8919(7) Å, c = 15.545(1) Å, β = 102.321(6)°, V = 1822.5(2) Å3, Z = 4, R gt (F) = 0.0503, wR ref (F 2) = 0.1419, T = 293(2) K.

Novel hybrid motifs of 4-nitroimidazole-piperazinyl tagged 1,2,3-triazoles: Synthesis, crystal structure, anticancer evaluations, and molecular docking study

“…The reaction of 5-bromo- N 1- benzyl-2-methyl-4- nitroimidazole 3 with piperazine using isopropanol as a solvent gives compound 4 [ 88 ]. The major scaffold 5 is prepared by the reaction of the piperazine derivative 4 with propargyl bromide using NaH [ 89 ] as yellow flakes with 82% yield ( Scheme 1 ).

Scheme 1 Reagents and conditions : i. Benzyl chloride, NaH, DMF; ii.

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