Abstract
In the crystal structure of the title compound, C5H5NO3, all the non-H atoms are approximately coplanar: the carboxy O atoms deviating by 0.013 (2) and −0.075 (2) Å from the isoxazole ring plane. In the crystal, the molecules form inversion dimers linked by pairs of O—H⋯O hydrogen bonds and the dimers stack via π–π interactions [centroid–centroid distance = 3.234 (2) Å].
Highlights
In the crystal structure of the title compound, C5H5NO3, all the non-H atoms are approximately coplanar: the carboxy O atoms deviating by 0.013 (2) and 0.075 (2) Å from the isoxazole ring plane
The molecules form inversion dimers linked by pairs of O—H O hydrogen bonds and the dimers stack via – interactions [centroid–centroid distance = 3.234 (2) Å]
The title compound is a potent inhibitor of the monoamine oxidase enzyme and multidentate ligand for transition metals, see: Birk & Weihe (2009)
Summary
R factor = 0.084; wR factor = 0.230; data-to-parameter ratio = 15.5. In the crystal structure of the title compound, C5H5NO3, all the non-H atoms are approximately coplanar: the carboxy O atoms deviating by 0.013 (2) and 0.075 (2) Å from the isoxazole ring plane. In the crystal, the molecules form inversion dimers linked by pairs of O—H O hydrogen bonds and the dimers stack via – interactions [centroid–centroid distance = 3.234 (2) Å].
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