Mohamed Shaaban K, Mague Joel T, Akkurt Mehmet, Hassan Alaa A, Abdel-Aziz Ahmed T, Albayati Mustafa R
Faculty of Science & Engineering, School of Healthcare Science, Manchester Metropolitan University, Manchester M1 5GD, England; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
Acta Crystallogr E Crystallogr Commun. 2015 Nov 14;71(Pt 12):o933-4. doi: 10.1107/S205698901502112X. eCollection 2015 Dec 1.
The conformation of the title compound, C14H19N3S, is partially determined by an intra-molecular N-H⋯N hydro-gen-bond inter-action, although the N-H⋯N angle of 108° is quite small. The cyclo-hexyl-idene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers, with an R 2 (2)(8) ring motif. The dimers are reinforced by pairs of C-H⋯S hydrogen bonds, and are linked by further weak C-H⋯S hydrogen bonds, forming chains propagating along [100].
标题化合物C₁₄H₁₉N₃S的构象部分由分子内N-H⋯N氢键相互作用决定，尽管108°的N-H⋯N角相当小。环己叉环具有椅式构象，其平均平面与苯环的夹角为46.30 (8)°。在晶体中，分子通过N-H⋯S氢键对相连，形成具有R 2 (2)(8)环模式的反演二聚体。二聚体通过C-H⋯S氢键对得到加强，并通过进一步的弱C-H⋯S氢键相连，形成沿[100]方向延伸的链。
