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高氯酸2-氨基-3-羧基吡嗪-1-鎓 双(2-氨基吡嗪-1-鎓-3-羧酸盐)一水合物

2-Amino-3-carb-oxy-pyrazin-1-ium perchlorate bis-(2-amino-pyrazin-1-ium-3-carboxyl-ate) monohydrate.

作者信息

Berrah Fadila, Bouacida Sofiane, Bouhraoua Ahlem, Roisnel Thierry

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1714-5. doi: 10.1107/S1600536812021071. Epub 2012 May 12.

Abstract

The asymmetric unit of the title compound, C(5)H(6)N(3)O(2) (+)·ClO(4) (-)·2C(5)H(5)N(3)O(2)·H(2)O, comprises two symmetry-independent zwitterions, one cation, one perchlorate anion and one water mol-ecule. In the crystal, the three different types of organic entities are linked by N-H⋯O and N-H⋯N hydrogen bonds, forming undulating sheets parallel to (1-10). These sheets are in turn connected by O-H⋯N and O-H⋯O hydrogen bonds involving perchlorate anions and water mol-ecules, forming a three-dimensional network. Intra-molecular N-H⋯O and weak inter-molecular C-H⋯O hydrogen bonds are also present.

摘要

标题化合物C(5)H(6)N(3)O(2) (+)·ClO(4) (-)·2C(5)H(5)N(3)O(2)·H(2)O的不对称单元包含两个独立的两性离子、一个阳离子、一个高氯酸根阴离子和一个水分子。在晶体中,三种不同类型的有机实体通过N-H⋯O和N-H⋯N氢键相连,形成平行于(1-10)的起伏片层。这些片层又通过涉及高氯酸根阴离子和水分子的O-H⋯N和O-H⋯O氢键相连,形成三维网络。还存在分子内N-H⋯O和弱分子间C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/97ca/3379306/fcafafc27c66/e-68-o1714-fig1.jpg

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本文引用的文献

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