C. Sanjeevarayappa, Pushpa Iyengar, K. E. Manoj Kumar
Jan 22, 2015
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Journal
Molecular Crystals and Liquid Crystals
Abstract
The title compound tert-butyl 4-(5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate was synthesized by condensation reaction between carbamimide and 3-fluorobenzoic acid in the presence of 3-(3-dimethylaminopropyl)carbodiimide hydrochloride and hydroxybenzotriazole under basic condition. It was characterized by spectroscopic evidences such as LCMS, 1H NMR, 13C NMR, IR, and CHN elemental analysis. The structure was further confirmed by single crystal XRD data. The title compound, C17H21FN4O3, crystallized in the monoclinic crystal system and P21/c space group with the unit cell parameters a = 14.281(3) Å, b = 11.579(2) Å, c = 11.331(2) Å, β = 110.674(6)°, Z = 4, and V = 1753.0(6) Å3. In the structure, the molecules are linked through weak C‒H···O intermolecular interactions along [010], and aromatic π–π stacking interactions (centroid-centroid distance = 3.7456(15)Å generate a three-dimensional architecture. The compound was screened for its in vitro antibacterial and anthelmintic activity. The compound exhibited poor antibacterial and moderate anthelmintic activity.