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2,2-二甲基-5-{[(4-硝基苯基)氨基]亚甲基}-1,3-二氧六环-4,6-二酮

2,2-Dimethyl-5-{[(4-nitro-phen-yl)amino]-methyl-idene}-1,3-dioxane-4,6-dione.

作者信息

Yang Ying-Hong, Li Zi-Cheng, Luo You-Fu

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o412. doi: 10.1107/S1600536811001103.

Abstract

In the title compound, C(13)H(12)N(2)O(6), the dihedral angle between the benzene ring and the amino-methyl-ene unit is 5.42 (16)°, while the angle between the amino-methyl-ene unit and the dioxane ring is 3.06 (43)°. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.464 (10) Å out of the plane. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, a three-dimensional framework is built up via inter-molecular N-H⋯O hydrogen bonds.

摘要

在标题化合物C₁₃H₁₂N₂O₆中,苯环与氨基亚甲基单元之间的二面角为5.42(16)°,而氨基亚甲基单元与二氧六环环之间的夹角为3.06(43)°。二氧六环环呈半船式构象,其中二氧六环环O原子之间的C原子偏离平面0.464(10)Å。分子内N-H⋯O氢键稳定了分子构象。在晶体中,通过分子间N-H⋯O氢键形成三维框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15d4/3051475/37e3735ec6a4/e-67-0o412-fig1.jpg

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