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硫酸二水合双（5-氨基-3-羧基-1H-1,2,4-三唑-4-鎓）

Bis(5-amino-3-carb-oxy-1H-1,2,4-triazol-4-ium) sulfate dihydrate.

作者信息

Ouakkaf Amira, Berrah Fadila, Bouacida Sofiane, Roisnel Thierry

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1171-2. doi: 10.1107/S1600536811013882. Epub 2011 Apr 16.

DOI:10.1107/S1600536811013882
PMID:21754477
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089095/
Abstract

The crystal structure of the title compound, 2C(3)H(5)N(4)O(2) (+)·SO(4) (2-)·2H(2)O, displays a three-dimensional framework in which mixed infinite chains [oriented parallel to (510) and ([Formula: see text]10)] inter-fere, forming tunnels extending parallel to the c axis. Inter-molecular O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds ensure the unity of the structure and generate centrosymmetric R(4) (4)(14) and R(4) (2)(8) rings. The S atom lies on a twofold axis.

摘要

标题化合物2C₃H₅N₄O₂⁺·SO₄²⁻·2H₂O的晶体结构呈现出三维骨架，其中混合的无限链[平行于(510)和([化学式：见原文]10)取向]相互干扰，形成平行于c轴延伸的隧道。分子间的O-H⋯O、N-H⋯O和O-H⋯N氢键确保了结构的整体性，并生成中心对称的R₄⁴(14)和R₄²(8)环。S原子位于二重轴上。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc4e/3089095/fbc5d15f93c7/e-67-o1171-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc4e/3089095/c0c3dbc7f8a9/e-67-o1171-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc4e/3089095/4677f79a0212/e-67-o1171-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc4e/3089095/fbc5d15f93c7/e-67-o1171-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc4e/3089095/c0c3dbc7f8a9/e-67-o1171-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc4e/3089095/4677f79a0212/e-67-o1171-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc4e/3089095/fbc5d15f93c7/e-67-o1171-fig3.jpg

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