2-(6-Phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazin-3-yl)-1,3-benzothia-zole.
2-(6-Phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazin-3-yl)-1,3-benzothia-zole.
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DOI：
10.1107/s1600536811036452
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发表时间：
2011-10-01
期刊：
影响因子：
--
通讯作者：
Tiekink ER
中科院分区：
文献类型：
--
作者：
Abdel-Aziz HA;Ng SW;Tiekink ER
在标题化合物C17H11N5S2中，三唑环和苯环以及1,3-苯并噻唑环体系之间形成的二面角分别为8.67 (8)和13.90 (9)°。三唑并噻二嗪-3-基稠环体系的构象是扭曲的半椅式。总体而言，分子呈扁平形状。在晶体结构中发现了由 C—H⋯N 相互作用维持的沿 a 轴的超分子螺旋链。它们通过 C—H⋯π 接触以及三唑环和噻唑环之间的 π-π [质心-质心距离 = 3.5911 (12) Å] 相互作用连接。
In the title compound, C17H11N5S2, the dihedral angles formed between the triazole ring and the benzene ring and the 1,3-benzothiazole ring system are 8.67 (8) and 13.90 (9)°, respectively. The conformation of the triazolo-thiadiazin-3-yl fused ring system is a twisted half-chair. Overall, the molecule adopts a flattened shape. Supramolecular helical chains along the a axis sustained by C—H⋯N interactions are found in the crystal structure. These are linked via C—H⋯π contacts as well as π–π [centroid–centroid distance = 3.5911 (12) Å] interactions between the triazole and thiazole rings.