3-[(E)-(4-氯-亚苄基)氨基]-1-苯基-硫脲
3-[(E)-(4-Chloro-benzyl-idene)amino]-1-phenyl-thio-urea.
作者信息
Dzulkifli Nur Nadia, Farina Yang, Yamin Bohari M, Baba Ibrahim, Tiekink Edward R T
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o872. doi: 10.1107/S1600536811008920. Epub 2011 Mar 12.
In the title compound, C(14)H(12)ClN(3)S, the dihedral angle between the terminal benzene rings is 56.6 (2)°; the benzene rings lie to the same side of the mol-ecule. The major twist in the mol-ecule occurs around the C(ar)-N bond (ar is aromatic) [C-N-C-C = 49.9 (5)°]. The configuration about the N=C bond [1.271 (4) Å] is E. The amine H atoms lie on opposite sides of the mol-ecule with one forming an intra-molecular N-H⋯N(imine) hydrogen bond and an S(5) ring. In the crystal, centrosymmetric dimers are formed via {⋯HNC=S}(2) synthons.
在标题化合物C₁₄H₁₂ClN₃S中，末端苯环之间的二面角为56.6 (2)°；苯环位于分子的同一侧。分子中的主要扭转发生在C(ar)-N键（ar为芳香环）周围[C-N-C-C = 49.9 (5)°]。N=C键[1.271 (4) Å]的构型为E型。胺氢原子位于分子的两侧，其中一个形成分子内N-H⋯N(亚胺)氢键并形成一个S(5)环。在晶体中，通过{⋯HNC=S}(2)合成子形成中心对称二聚体。
Zotero 插件