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Synthesis, crystal structure and Hirshfeld surface analysis of [1-(4-bromo-phen-yl)-1 H -1,2,3-triazol-4-yl]methyl 2-(4-nitro-phen-oxy)acetate.

Muminjon HakimovShakhnoza KhozhimatovaIlkhomjon OrtikovIbragimdjan AbdugafurovAkmaljon G Tojiboev
Published in: Acta crystallographica. Section E, Crystallographic communications (2024)
The title compound, C 17 H 13 BrN 4 O 5 , was synthesized by a Cu 2 Br 2 -catalysed Meldal-Sharpless reaction between 4-nitro-phen-oxy-acetic acid propargyl ether and para -bromo-phenyl-azide, and characterized by X-ray structure determination and 1 H NMR spectroscopy. The mol-ecules, with a near-perpendicular orientation of the bromo-phenyl-triazole and nitro-phen-oxy-acetate fragments, are connected into a three-dimensional network by inter-molecular C-H⋯O and C-H⋯N hydrogen bonds (confirmed by Hirshfeld surface analysis), π-π and Br-π inter-actions.
Keyphrases
  • crystal structure
  • high resolution
  • computed tomography
  • molecularly imprinted
  • solid phase extraction
  • single molecule
  • dual energy
  • transition metal
  • electron transfer