Jin Yan-Xian, Yan Zhen-Zhong, Yang Jian-Guo, Zhong Ai-Guo, Pan Fu-You
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 18;65(Pt 12):o3113. doi: 10.1107/S1600536809048028.
In the structure of the title compound, C(12)H(11)N(3)O(3)·H(2)O, the dihedral angle formed by the benzene and isoxazole rings is 2.03 (8)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, mol-ecules are linked into a three-dimesional network by inter-molecular N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, and by π-π stacking inter-actions involving adjacent benzene and isoxazole rings [centroid-centroid separation = 3.663 (2) Å].
在标题化合物C(12)H(11)N(3)O(3)·H(2)O的结构中，苯环和异恶唑环形成的二面角为2.03 (8)°。分子构象通过分子内O-H⋯N氢键得以稳定。在晶体结构中，分子通过分子间N-H⋯O、O-H⋯N和O-H⋯O氢键以及涉及相邻苯环和异恶唑环的π-π堆积相互作用[质心-质心间距 = 3.663 (2) Å]连接成三维网络。
