Wan Rong, Wang Yao, Han Feng, Wang Peng
Department of Applied Chemistry, College of Science, Nanjing University of Technology, No. 5 Xinmofan Road, Nanjing, Nanjing 210009, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 18;65(Pt 5):o1044. doi: 10.1107/S1600536809013257.
The title compound, C(14)H(11)N(3)OS, was synthesized by the reaction of phenoxy-benzoic acid and thio-semicarbazide. The thia-diazole ring makes dihedral angles of 0.99 (16) and 86.53 (18)°, respectively, with the benzene and phenyl rings. The dihedral angle between the benzene and phenyl rings is 87.17 (19)°. Intra-molecular C-H⋯S contacts are present. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules.
标题化合物C(14)H(11)N(3)OS由苯氧基苯甲酸与硫代氨基脲反应合成。噻二唑环与苯环和苯基环分别形成0.99 (16)°和86.53 (18)°的二面角。苯环和苯基环之间的二面角为87.17 (19)°。存在分子内C-H⋯S接触。在晶体中,分子间N-H⋯N氢键连接分子。