Saeed Sohail, Rashid Naghmana, Wong Wing-Tak
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 10;66(Pt 5):o1031-2. doi: 10.1107/S1600536810012249.
In the title compound, C(14)H(17)N(3)O(3)S, the nitro group is twisted slightly by 2.6 (3)° from the benzene ring plane and the thio-ureido group makes a dihedral angle of 52.06 (4)° with the benzene ring. The cyclo-hexyl ring displays a chair conformation. An intra-molecular N-H⋯O inter-action is present. In the crystal, inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers. π-π inter-actions between inversion-related benzene rings (centroid-centroid distance = 4.044 Å) and C-H⋯π inter-actions (H⋯centroid distance = 3.116 Å) between one methyl-ene cyclo-hexyl H atom and the benzene ring are also present.
在标题化合物C₁₄H₁₇N₃O₃S中，硝基与苯环平面轻微扭转2.6(3)°，硫脲基与苯环形成52.06(4)°的二面角。环己基环呈椅式构象。存在分子内N-H⋯O相互作用。在晶体中，分子间N-H⋯S氢键将分子连接成中心对称的二聚体。还存在与反演相关的苯环之间的π-π相互作用（质心-质心距离 = 4.044 Å）以及一个亚甲基环己基H原子与苯环之间的C-H⋯π相互作用（H⋯质心距离 = 3.116 Å）。
