Pan Mei-Ling, Luo Yang-Hui, Li Jin-Feng
Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2545. doi: 10.1107/S160053681103532X. Epub 2011 Sep 3.
In the crystal structure of the title compound, C(5)H(5)NO(3), all the non-H atoms are approximately coplanar: the carb-oxy 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 inter-actions [centroid-centroid distance = 3.234 (2) Å].
在标题化合物C₅H₅NO₃的晶体结构中，所有非H原子近似共面：羧基O原子与异恶唑环平面的偏差分别为0.013(2) Å和 -0.075(2) Å。在晶体中，分子通过O—H⋯O氢键对形成反演二聚体，且二聚体通过π-π相互作用堆积[质心-质心距离 = 3.234(2) Å]。
