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首页> 外文期刊>Crystal growth & design >Supramolecular behavior of adenine with succinic, fumaric, and maleic acids: Tautomerism, cocrystallization, salt formation, and solvation
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Supramolecular behavior of adenine with succinic, fumaric, and maleic acids: Tautomerism, cocrystallization, salt formation, and solvation

机译:腺嘌呤与琥珀酸,富马酸和马来酸的超分子行为:互变异构,共结晶,成盐和溶剂化

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摘要

The powerful hydrogen bonding capability of adenine makes it a key component of the DNA double helix, while as a crystalline molecular material, these hydrogen bond donors and acceptors make it a good potential cocrystal component possessing distinct physical properties. Here, we report the preparation and structure determination of four adenine-based multicomponent adducts formed with a number of dicarboxylic acids: an anhydrous cocrystal with succinic acid (1), anhydrous salts with fumaric acid (2) and maleic acid (3), and a methanolated salt with maleic acid (4). The supramolecular behavior of adenine in these materials is discussed in terms of strong hydrogen-bonded bidentate motifs formed between the adenine and acid components and the homomeric adenine synthons retained in these structures. The additional formation of a CH···N interaction on the Watson-Crick site in (3) enables the stabilization of the unusual 3H,7H adeninium tautomer within a purely molecular material.
机译:腺嘌呤的强大氢键结合能力使其成为DNA双螺旋的关键成分,而作为结晶分子材料,这些氢键供体和受体使其成为具有独特物理性质的良好潜在共晶组分。在这里,我们报告了由许多二元羧酸形成的四种基于腺嘌呤的多组分加合物的制备和结构测定:与琥珀酸的无水共晶(1),与富马酸的无水盐(2)和马来酸(3),以及带有马来酸的甲醇盐(4)。根据腺嘌呤和酸成分与保留在这些结构中的同型腺嘌呤合成子之间形成的强氢键结合的双齿基序,讨论了腺嘌呤在这些材料中的超分子行为。在(3)中的Watson-Crick位点上CH···N相互作用的额外形成使得能够在纯分子材料中稳定不寻常的3H,7H腺嘌呤互变异构体。

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