1-苯甲酰基-3-[4-(3-苯甲酰基-硫代脲基)苯基]硫代脲
1-Benzoyl-3-[4-(3-benzoyl-thio-ureido)phen-yl]thio-urea.
作者信息
Woei Hung Wong, Kassim Mohammad B
机构信息
School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi Selangor, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 13;66(Pt 12):o3182. doi: 10.1107/S160053681004599X.
The mol-ecule of the title compound, C(22)H(18)N(4)O(2)S(2), lies across a crystallographic inversion centre. The mol-ecule adopts a syn-anti configuration with respect to the positions of the carbonyl groups and terminal phenyl rings relative to the thione S atom across the C-N bond. There are two intra-molecular N-H⋯O and C-H⋯S hydrogen bonds within each molecule, resulting in the formation of four six-membered S(6) rings. The central and terminal rings make a dihedral angle of 13.55 (15)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯S hydrogen bonds, forming R(2) (2)(14) rings and resulting in zigzag chains.
标题化合物C(22)H(18)N(4)O(2)S(2)的分子位于一个晶体学倒转中心上。相对于羰基和末端苯环相对于硫酮S原子横跨C-N键的位置，该分子采取顺-反构型。每个分子内有两个分子内N-H⋯O和C-H⋯S氢键，导致形成四个六元S(6)环。中心环和末端环的二面角为13.55 (15)°。在晶体中，分子通过分子间C-H⋯S氢键相连，形成R(2) (2)(14)环并形成锯齿链。
Zotero 插件