oa South African Journal of Chemistry - Synthesis and crystal structure of ethyl 2-(benzo[]oxazol-2-yl)-5-oxo-3-(-tolylamino)-2,5-dihydroisoxazole-4-carboxylate : research article

Volume 66, Issue 1
  • ISSN : 0379-4350



The title compound ethyl 2-(benzo[]oxazol-2-yl)-5-oxo-3-(-tolylamino)-2,5-dihydroisoxazole-4-carboxylate (5) was synthesized and studied by the single crystal X-ray diffraction method. Its structure was confirmed by IR, 1H and 13C NMR spectroscopy, microanalyses, and X-ray single crystal structure determination. Compound 5 crystallized in the monoclinic system, space group 2/=11.9936(3) Å, =13.9638(3) Å, =11.5126(4) Å, ==90°, =108.939(3) °, =1823.70(9) Å3, Z=4, R1=0.050 and wR2 = 0.130. Compound shows an intramolecular hydrogen bond between N9-H...O3 atoms. The H-bond and donor-acceptor (N9...O3) distances were obtained 2.165 and 2.798 Å, respectively. The crystal structure of also shows a weak interaction between O1 and O26 atoms with distance of 2.985 Å. The benzo[]oxazole and -toluidine rings moieties are not collimated together on isoxazolone ring. The torsion angles of N9-C8-N7-C17, O6-N7-C17-O18 equal -49.63 ° and 68.67 °, respectively.

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