Wang Yue-Ping, Yan Wan-Lu, Guo Qiong, He Yan-Ping
Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1495. doi: 10.1107/S1600536812015991. Epub 2012 Apr 21.
The title compound, C(17)H(21)BrN(4)OS, was synthesized as a potential reverse transcriptase (RT) inhibitor of the human immunodeficiency virus type 1 (HIV-1). In the molecule, there is an N-H⋯S hydrogen bond making a five-membered ring. In the crystal, mol-ecules are connected into centrosymmetric dimers via pairs of N-H⋯N and weak C-H⋯N hydrogen bonds. The crystal structure also features C-H⋯O inter-actions.
标题化合物C(17)H(21)BrN(4)OS被合成为一种潜在的1型人类免疫缺陷病毒(HIV-1)逆转录酶(RT)抑制剂。在分子中,存在一个形成五元环的N-H⋯S氢键。在晶体中,分子通过N-H⋯N对和弱C-H⋯N氢键连接成中心对称二聚体。晶体结构还具有C-H⋯O相互作用。