2-[(E)-(2-吗啉代乙基)亚氨基甲基]-4-硝基-1-氧代环己二烯化物
2-[(E)-(2-Morpholinoeth-yl)iminiometh-yl]-4-nitro-1-oxocyclo-hexa-dienide.
作者信息
Bingöl Alpaslan Yelda, Tanak Hasan, Ağar Erbil, Erşahin Ferda
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1842. doi: 10.1107/S1600536809026191.
The mol-ecule of the title compound, C(13)H(17)N(3)O(4), exists as a zwitterion, with the H atom of the phenol group being transferred to the imine N atom. The C=O, C(Ar)-C(Ar) and C-N bond lengths are in agreement with the oxocyclo-hexa-dienide-iminium zwitterionic form. A strong intra-molecular N(+)-H⋯O hydrogen bond generates an S(6) ring motif. The morpholine ring adopts a chair conformation. In the crystal, mol-ecules are linked into centrosymmetric dimers by inter-molecular N-H⋯O hydrogen bonds. In addition, C-H⋯O hydrogen bonds and very weak C-H⋯π inter-actions are observed.
标题化合物C(13)H(17)N(3)O(4)的分子以两性离子形式存在，酚羟基的H原子转移至亚胺N原子上。C=O、C(Ar)-C(Ar)和C-N键长与氧代环己二烯亚胺鎓两性离子形式相符。一个强的分子内N(+)-H⋯O氢键形成S(6)环模式。吗啉环呈椅式构象。在晶体中，分子通过分子间N-H⋯O氢键连接成中心对称二聚体。此外，还观察到C-H⋯O氢键和非常弱的C-H⋯π相互作用。
Zotero 插件