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5-氨基-2,4,6-三碘间苯二甲酸-4,4'-联吡啶 N,N'-二氧化物-水(1/1/1)

5-Amino-2,4,6-triiodo-isophthalic acid-4,4'-bipyridine N,N'-dioxide-water (1/1/1).

作者信息

Zhang Kou-Lin, Zhang Jin-Bo, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o793. doi: 10.1107/S1600536811007276. Epub 2011 Mar 5.

Abstract

The aromatic rings of the N,N'-dioxide molecule in the title compound, C(8)H(4)NI(3)O(4)·C(10)H(8)N(2)O(2)·H(2)O, are twisted by 14.0 (2)°. The -CO(2)H substituents of the 5-amino-2,4,6-triiodo-isophthalic acid are twisted by 83.0 (2) and 86.5 (2)° out of the plane of the aromatic ring. In the crystal, the three components are linked by O-H⋯O hydrogen bonds into a three-dimensional network. An N-H⋯O inter-action also occurs. One of the amino H atom is not involved in hydrogen bonding.

摘要

在标题化合物C₈H₄NI₃O₄·C₁₀H₈N₂O₂·H₂O中,N,N'-二氧化物分子的芳环扭曲了14.0 (2)°。5-氨基-2,4,6-三碘间苯二甲酸的-CO₂H取代基扭曲出芳环平面83.0 (2)°和86.5 (2)°。在晶体中,三种组分通过O-H⋯O氢键连接成三维网络。还存在N-H⋯O相互作用。其中一个氨基H原子不参与氢键形成。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5262/3099751/899e2e09d494/e-67-0o793-fig1.jpg

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