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4-硝基苯酚-2,4,6-三氨基-1,3,5-三嗪-水(2/1/1)

4-Nitro-phenol-2,4,6-triamino-1,3,5-triazine-water (2/1/1).

作者信息

Kanagathara N, Chakkaravarthi G, Marchewka M K, Gunasekaran S, Anbalagan G

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2286. doi: 10.1107/S1600536812029066. Epub 2012 Jun 30.

DOI:10.1107/S1600536812029066
PMID:22798930
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3394065/
Abstract

In the title adduct, 2C(6)H(5)NO(3)·C(3)H(6)N(6)·H(2)O, the melamine and the two independent nitrophenol molecules are essentially planar, with maximum deviations of 0.0294 (10), 0.0706 (12) and 0.0742 (12) Å, respectively. In the crystal, N-H⋯N, O-H⋯N, N-H⋯O and O-H⋯O hydrogen bonds link the components into a three-dimensional network. In addition, weak π-π inter-actions [centroid-centroid distances = 3.728 (3) and 3.749 (3) Å] are observed.

摘要

在标题加合物2C₆H₅NO₃·C₃H₆N₆·H₂O中,三聚氰胺和两个独立的硝基苯酚分子基本呈平面状,最大偏差分别为0.0294(10)、0.0706(12)和0.0742(12)Å。在晶体中,N-H⋯N、O-H⋯N、N-H⋯O和O-H⋯O氢键将各组分连接成三维网络。此外,还观察到弱的π-π相互作用[质心-质心距离 = 3.728(3)和3.749(3)Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/043f/3394065/5e43c17a255c/e-68-o2286-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/043f/3394065/fbd9c12a9626/e-68-o2286-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/043f/3394065/5e43c17a255c/e-68-o2286-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/043f/3394065/fbd9c12a9626/e-68-o2286-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/043f/3394065/5e43c17a255c/e-68-o2286-fig2.jpg

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