Lu Dongliang, Zhang Min, Song Liping, Tan Qiwen, Shao Min
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o80-1. doi: 10.1107/S1600536807061144.
In the title compound, C(17)H(15)N(5)O(3)S, the plane of the triazolo-thia-diazole system forms dihedral angles of 15.68 and 4.46° with the planes of the pyridine and furan rings, respectively. In the mol-ecule, there is an intra-molecular C-H⋯N inter-action. The crystal structure also contains other inter-molecular inter-actions, such as C-H⋯O hydrogen bonds, π-π stacking (centroid-centroid distances = 3.746 and 3.444 Å), non-bonded S⋯N [3.026 (2) Å] and C-H⋯π inter-actions.
在标题化合物C(17)H(15)N(5)O(3)S中,三唑并噻二唑体系的平面与吡啶环和呋喃环的平面分别形成15.68°和4.46°的二面角。在分子中,存在分子内C-H⋯N相互作用。晶体结构还包含其他分子间相互作用,如C-H⋯O氢键、π-π堆积(质心-质心距离 = 3.746和3.444 Å)、非键合S⋯N [3.026 (2) Å]和C-H⋯π相互作用。