Xiao Zhu-Ping, Yi Li-Cheng, Li Jia-Liang, Zhang Bo, Liao Mei-Ling
College of Chemistry and Chemical Engineering, Jishou University, Jishou 416000, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3086. doi: 10.1107/S1600536811043947. Epub 2011 Oct 29.
In the title compound, C(16)H(12)BrN(3)O(4), the furan-2(5H)-one ring forms a dihedral angle of 33.19 (9)° with the 4-bromo-benzene unit and is nearly perpendicular to the 4-nitro-benzene segment, making a dihedral angle of 89.93 (10)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules, generating an infinite chain along [010]. The chains are linked into a three-dimensional network by C-H⋯O, C-H⋯π and π-π contacts [centroid-centroid separation = 3.805 (2) Å].
在标题化合物C₁₆H₁₂BrN₃O₄中,呋喃 - 2(5H)-酮环与4 - 溴苯单元形成的二面角为33.19 (9)°,且几乎垂直于4 - 硝基苯片段,二面角为89.93 (10)°。在晶体中,N - H⋯O氢键连接分子,沿[010]方向生成无限链。这些链通过C - H⋯O、C - H⋯π和π - π接触[质心 - 质心间距 = 3.805 (2) Å]连接成三维网络。