Nayak Susanta K, Venugopala K N, Chopra Deepak, Govender Thavendran, Kruger Hendrik G, Maguire Glenn E M, Guru Row T N
Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 26;65(Pt 10):o2518. doi: 10.1107/S1600536809037453.
In the title compound, C(14)H(15)ClN(2)O(2)S, the tetra-hydro-pyrimidine ring adopts a twisted boat conformation with the carbonyl group in an s-trans conformation with respect to the C=C double bond of the six-membered tetra-hydro-pyrimidine ring. The mol-ecular conformation is determined by an intra-molecular C-H⋯π inter-action. The crystal structure is further stabilized by inter-molecular N-H⋯O mol-ecular chains and centrosymmetric N-H⋯S dimers.
在标题化合物C₁₄H₁₅ClN₂O₂S中，四氢嘧啶环呈扭曲船式构象，羰基相对于六元四氢嘧啶环的C=C双键呈反式构象。分子构象由分子内C-H⋯π相互作用决定。晶体结构通过分子间N-H⋯O分子链和中心对称的N-H⋯S二聚体进一步稳定。
