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首页> 外文期刊>Crystal growth & design >Conformation-directed hydrogen-bonding in meta -substituted aromatic ureadicarboxylic acid: A conformationally flexible U-shaped building block
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Conformation-directed hydrogen-bonding in meta -substituted aromatic ureadicarboxylic acid: A conformationally flexible U-shaped building block

机译：间取代芳族脲二羧酸中的构象导向氢键：构象灵活的U形结构单元

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摘要

Crystal structures of U-shaped aromatic ureadicarboxylic acid possessing two carboxy moieties at meta-positions of phenyl rings were investigated. It afforded cocrystals with dipyridyl derivatives. In addition to the U-shaped conformation obtained by recrystallization from methanol, another three types of U-shaped conformations were found in the crystal structure of the cocrystals. The direction of H-bonding was fixed based on the relative geometry of two carboxy moieties in the resulting conformations. Depending on these conformations, triple helices with one-dimensional water channels, infinite cross-belt, and step-like structures were generated via H-bonding between the carboxy and the pyridyl moieties. Methanol solvate was obtained for the cocrystal with 1,4-di(pyridine-4-yl)benzene which showed different U-shaped conformation of urea dicarboxylic acid from that involved in the cocrystal free of methanol.
机译：研究了在苯环的间位具有两个羧基的U型芳香族脲二羧酸的晶体结构。得到具有二吡啶基衍生物的共晶体。除了通过从甲醇中重结晶获得的U形构象外，在共晶的晶体结构中还发现了其他三种类型的U形构象。 H键合的方向是基于两个羧基部分在形成的构象中的相对几何形状而固定的。根据这些构象，通过羧基和吡啶基部分之间的氢键生成具有一维水通道，无限交叉带和阶梯状结构的三重螺旋。获得了与1，4-二（吡啶-4-基）苯的共晶体的甲醇溶剂化物，其显示出尿素二羧酸的U形构型与涉及不含甲醇的共晶体的构型不同。

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