首页> 外文OA文献 >3-(p-Tol­yl)-4-{3-[(phenyl­amino)­meth­yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thia­diazin-6-yl}sydnone
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3-(p-Tol­yl)-4-{3-[(phenyl­amino)­meth­yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thia­diazin-6-yl}sydnone

机译:3-(对甲苯基)-4- {3-[((苯氨基)甲基] -7H- [1,2,4]三唑并[3,4-b] [1,3,4]噻二嗪-6-基}丁酮

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摘要

In the title compound, C20H17N7O2S (systematic name: 3-(4-methyl­phen­yl)-4-{3-[(phenyl­amino)­meth­yl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl}-1,2,3-oxadiazol-3-ium-5-olate), the 3,6-dihydro-2H-1,3,4-thia­diazine ring adopts a half-boat conformation. The oxadiazol-3-ium ring makes dihedral angles of 57.99 (6) and 54.48 (6)° with the phenyl and benzene rings, respectively, while the 1,2,4-triazole ring forms corresponding angles of 37.35 (6) and 73.89 (6)°. The dihedral angle between the oxadiazol-3-ium and 1,2,4-triazole rings is 21.12 (6)°. In the crystal, the mol­ecules are linked via inter­molecular N—H⋯O and C—H⋯N hydrogen bonds into a layer parallel to the (100) plane. The crystal structure is further consolidated by C—H⋯π inter­actions. An intra­molecular C—H⋯O hydrogen bond is also observed, which generates an S(6) ring motif.
机译:在标题化合物中,C20H17N7O2S(系统名称:3-(4-甲基苯基)-4- {3-[((苯基氨基)甲基] -7H-1,2,4-三唑[3,4-b] [1,3 ,4] thiadiazin-6-yl} -1,2,3-oxadiazol-3-ium-5-olate),3,6-dihydro-2H-1,3,4-thiadiazine ring采用半舟构型。恶二唑-3-鎓环分别与苯环和苯环成57.99°(6)和54.48°(6)°的二面角,而1,2,4-三唑环形成37.35°(6)和73.89°的相应角(6)°。恶二唑-3-鎓与1,2,4-三唑环之间的二面角为21.12°(6)°。在晶体中,分子通过分子间N-H = O和C-H = N氢键连接到平行于(100)平面的层中。晶体结构通过CH-π相互作用进一步巩固。还观察到分子内CHH = O氢键,该键产生S(6)环基序。

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