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首页> 外文期刊>Crystallography reports >Crystal and Molecular Structures of Selected Oxidative Nitration Products of Aminopyrazine and 2-Amino-3-Hydroxypyridine
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Crystal and Molecular Structures of Selected Oxidative Nitration Products of Aminopyrazine and 2-Amino-3-Hydroxypyridine

机译:氨基吡嗪和2-氨基-3-羟基吡啶选择的氧化硝化产物的晶体和分子结构

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摘要

2,3,5,6-Tetraoxopiperazine (I), ammonium 2,3,5,6-tetraoxo-4-nitropyridinate crystal hydrate (II), co-crystallized dimethylammonium 2,3,5,6-tetraoxo-4-nitropyridinate and dimethylammonium chloride (III), and ammonium 2,6-dioxo-3,5-dinitropyridinate (IV) were isolated in the crystalline state and studied by X-ray diffraction. All heterocycles are planar and nonaromatic. They consist of two conjugated moieties linked together by C–C single bonds. The short C···O contacts (2.841–3.048 ?), which link the molecules to form zigzag two-dimensional chains, make a considerable contribution to the formation of the crystal structure of I, whereas hydrogen bonds that form three-dimensional networks play the most important role in the formation of the crystals of II–IV.
机译:2,3,5,6-四氧杂哌嗪(I),2,3,5,6-四氧-4-硝基吡啶鎓结晶水合物(II),共结晶的二甲基二铵2,3,5,6-四氧-4-硝基吡啶鎓分离出二甲基氯化铵(III)和2,6-二氧代-3,5-二硝基吡啶甲酸铵(IV),并通过X射线衍射对其进行研究。所有杂环都是平面的和非芳族的。它们由通过C–C单键连接在一起的两个共轭部分组成。短的C··O接触(2.841–3.048?)连接分子以形成锯齿形的二维链,对I的晶体结构的形成做出了重要贡献,而氢键形成了三维网络。在II–IV晶体的形成中起着最重要的作用。

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