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2,2-二甲基-5-[(2-硝基苯胺基)亚甲基]-1,3-二氧六环-4,6-二酮

2,2-Dimethyl-5-[(2-nitro-anilino)methyl-idene]-1,3-dioxane-4,6-dione.

作者信息

He Yu-Xin, Wu Jin-Wei, Tong Rong-Sheng, Shi Jian-You

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1216. doi: 10.1107/S1600536811014358. Epub 2011 Apr 29.

Abstract

The crystal of the title compound, C(13)H(12)N(2)O(6), contains a bifurcated intra-molecular hydrogen bond between the N-H group and one of the O atoms from both the nitro group and the dioxane-4,6-dione moiety. In addition, mol-ecules are linked by a series of inter-molecular C-H⋯O secondary inter-actions. The dihedral angles between the benzene ring and the nitro group and the conjugated part of the dioxane-4,6-dione moiety are 19.1 (2) and 17.89 (7)°, respectively.

摘要

标题化合物C(13)H(12)N(2)O(6)的晶体中,N-H基团与硝基和二氧六环-4,6-二酮部分的一个氧原子之间存在一个分叉的分子内氢键。此外,分子通过一系列分子间C-H⋯O二级相互作用相连。苯环与硝基以及二氧六环-4,6-二酮部分的共轭部分之间的二面角分别为19.1 (2)°和17.89 (7)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0686/3089138/06233b412f8c/e-67-o1216-fig1.jpg

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