Wu Ming-Shu, Kong Du-Lin, Zhang Xiang-Zhu
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1454-5. doi: 10.1107/S1600536811017387. Epub 2011 May 20.
The title compound, C(20)H(15)N(5)O(3), was synthesized by the one-pot reaction of a four-component reaction protocol in aqueous medium. The pyrano[2,3-c]pyrazole system is essentially planar, with a maximum deviation of 0.026 (2) Å. The 3-nitro-phenyl and phenyl rings make dihedral angles of 81.11 (5) and 13.36 (1)°, respectively, with the mean plane of the pyrano[2,3-c]pyrazole ring. The crystal structure is stabilized by N-H⋯N hydrogen bonds, which form infinite chain propagating along the c axis and by N-H⋯O hydrogen bonds, which form infinite chains propagating along the a axis. There are also N-O⋯N-C dipole-dipole inter-actions along the a axis with an O⋯N distance of 3.061 (3) Å, which is shorter than that of the N-H⋯O hydrogen bond [3.196 (3) Å].
标题化合物C(20)H(15)N(5)O(3)是通过在水介质中采用四组分反应方案的一锅法反应合成的。吡喃并[2,3 - c]吡唑体系基本呈平面结构，最大偏差为0.026 (2) Å。3 - 硝基苯基和苯基环与吡喃并[2,3 - c]吡唑环的平均平面分别形成81.11 (5)°和13.36 (1)°的二面角。晶体结构通过沿c轴传播的N - H⋯N氢键形成无限链以及沿a轴传播的N - H⋯O氢键形成无限链得以稳定。沿a轴还存在N - O⋯N - C偶极 - 偶极相互作用，O⋯N距离为3.061 (3) Å，这比N - H⋯O氢键的距离[3.196 (3) Å]短。
