Akkurt Mehmet, Mohamed Shaaban K, Mague Joel T, Hassan Alaa A, Albayati Mustafa R
Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 26;70(Pt 3):o359. doi: 10.1107/S1600536814003948. eCollection 2014 Mar 1.
In the title compound, C14H19N3S, the seven-membered cyclo-heptane ring adopts a chair conformation. An intra-molecular N-H⋯N hydrogen bond [graph-set motif S(5)] is present in the N-N-C-N chain between the ring systems. An intra-molecular C-H⋯S contact also occurs. In the crystal, pairs of mol-ecules form centrosymmetric dimers through N-H⋯S hydrogen bonds [graph-set R 2 (2)(8)]. These dimers are connected by C-H⋯S inter-actions with an R 2 (2)(14) motif.
在标题化合物C₁₄H₁₉N₃S中，七元环庚烷环呈椅式构象。在环系之间的N-N-C-N链中存在分子内N-H⋯N氢键[图式S(5)]。还存在分子内C-H⋯S接触。在晶体中，分子对通过N-H⋯S氢键[图式R₂(2)(8)]形成中心对称二聚体。这些二聚体通过具有R₂(2)(14)图式的C-H⋯S相互作用相连。
