Verma Abha, Stevens Edwin D
Department of Chemistry, University of New Orleans, New Orleans, LA 70148, USA.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 24;65(Pt 7):o1667. doi: 10.1107/S1600536809023022.
In the title compound, C(15)H(12)N(2)O(5)S, the benzisothia-zole group is approximately planar (r.m.s. deviation excluding H atoms and the two O atoms bonded to S = 0.023 Å). The dihedral angle between the benzisothia-zole ring and the terminal phenol ring is 84.9 (1)°. In the crystal, mol-ecules are joined by N-H⋯O and O-H⋯O hydrogen bonds, and π-stacking inter-actions are observed between alternating phenol and benzisothia-zole rings [centroid-centroid distances = 3.929 (3) and 3.943 (3) Å].
在标题化合物C₁₅H₁₂N₂O₅S中，苯并异噻唑基团近似平面（不包括H原子以及与S相连的两个O原子的均方根偏差 = 0.023 Å）。苯并异噻唑环与末端酚环之间的二面角为84.9 (1)°。在晶体中，分子通过N—H⋯O和O—H⋯O氢键相连，并且在交替的酚环和苯并异噻唑环之间观察到π-堆积相互作用[质心-质心距离 = 3.929 (3) 和3.943 (3) Å]。
