Zhang Yong-Le, Zhang Chuang, Guo Wei, Wang Jing
School of Pharmaceutial Science, Hebei Medical University, Shijiazhuang 050017, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 13;70(Pt 10):o1106. doi: 10.1107/S1600536814019965. eCollection 2014 Oct 1.
In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds involving the phenol -OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C-H⋯N hydrogen-bond inter-actions. Aromatic π-π stacking [centroid-centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.
在标题化合物C₉H₉N₃OS中，苯环平面与三唑基团平面形成33.40 (5)°的二面角。在晶体中，分子通过涉及酚羟基和三唑环中一个未取代氮原子的O-H⋯N氢键相连，形成沿[010]方向的链。这些链通过弱C-H⋯N氢键相互作用进一步延伸成平行于(001)的层。三唑环之间的芳香π-π堆积[质心-质心间距 = 3.556 (1) Å]将这些层连接成三维网络。
