基于二甲基-氧-皮里米迪尔的尼米德的不寻常的 (syn-/anti-) 构造
Pavle Mocilac1, Fabian Pohl1,2, John F Gallagher1
1School of Chemical Sciences, Dublin City University, Dublin 9, Ireland.
Acta crystallographica. Section E, Crystallographic communications
|September 11, 2023
概括
合成了一种新型的尼胺宏循环,首次呈现出皮里丁环. 这种新的结构表现出独特的构造,影响其分子相互作用和固态包装.
科学领域:
- 超分子化学 超分子化学
- 有机合成 有机合成
- 晶体工程公司 晶体工程公司
背景情况:
- 宏循环是多功能分子支架,在宿主-客化学和材料科学中具有应用.
- 一个特定的类型,Tennimide宏循环,已因其结构多样性和潜在的功能性而被探索.
- 之前的四胺基宏循环主要采用特定的 (syn) 4形状.
研究的目的:
- 为了合成和描述一种新型的尼胺宏循环,其中包含里丁环.
- 研究新宏观循环的结构性质和晶体包装.
- 探索控制合成化合物的自我组装的分子间相互作用.
主要方法:
- 从2-amino-4,6-dimethoxypyrimidine和pyridine-2,6-dicarbonyl二化物中合成泰尼米德宏环 (I).
- 单晶X射线衍射分析以确定分子结构和形状.
- 在固态中分析分子间相互作用,包括键和范德瓦尔斯力.
主要成果:
- 首个纳米化物宏循环将皮里丁环纳入其支架中,已成功合成.
- 化合物 (I) 呈现出前所未有的 (syn/anti) 2 形状,与之前报告的 (syn) 4 形状不同.
- 这种独特的形状导致了一个封闭的分子,水分子通过键占据了这个空间.
- 宏观循环通过弱C-HO接触形成1D链,这些链进一步组装成2D板.
结论:
- 化环融入尼胺宏循环支架导致了新的构造性行为.
- 观察到的 (syn/anti) 2 形状会影响宏观循环的自我组装和结晶包装.
- 这项研究扩大了特尼米德宏循环的结构多样性,并提供了对其固态行为的洞察.
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