Sun Ting, Li Jing, Yang Feng-Ling
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 13;66(Pt 11):o2812. doi: 10.1107/S1600536810040201.
In the title compound, C(13)H(10)ClN(3)O(3), prepared by the reaction of 1-chloro-3-isocyanato-benzene with 4-nitro-benzenamine, the two substituent benzene rings are roughly coplanar [inter-ring dihedral angle = 8.70 (7)°]. In the crystal, mol-ecules make cyclic inter-molecular associations through two urea-nitro N-H⋯O hydrogen bonds, forming a chain structure [give chain direction] in which there are also weak inter-molecular C-H⋯Cl inter-actions. The urea O atom has only intra-molecular aromatic ring C-H⋯O associations.
在标题化合物C(13)H(10)ClN(3)O(3)中,由1-氯-3-异氰酸苯酯与4-硝基苯胺反应制得,两个取代苯环大致共面[环间二面角 = 8.70 (7)°]。在晶体中,分子通过两个脲-硝基N-H⋯O氢键形成环状分子间缔合,形成一种链状结构[给出链的方向],其中也存在弱的分子间C-H⋯Cl相互作用。脲O原子仅存在分子内芳环C-H⋯O缔合。