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首页> 外文期刊>Crystal growth & design >Interpenetrated three-dimensional networks of hydrogen-bonded organic species: A systematic analysis of the Cambridge Structural Database
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Interpenetrated three-dimensional networks of hydrogen-bonded organic species: A systematic analysis of the Cambridge Structural Database

机译：氢键键合的有机物的互穿三维网络：对剑桥结构数据库的系统分析

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摘要

Interpenetration in extended three-dimensional (3D) arrays has been investigated by a systematic analysis of the crystallographic structural databases, using an ad hoe version of the program package TOPOS. In this paper we describe the comprehensive results of our investigation of interpenetration in organic hydrogen-bonded 3D arrays from the Cambridge Structural Database. The great interest in the self-assembly of organic molecules into hydrogen-bonded supramolecular arrays has prompted us to investigate these systems at a rather unusual level; that is, beyond the formation of synthons, we have examined the topologies of the resulting networks and looked for their entanglements. Within 3D architectures we have extracted a complete list including 122 different motifs showing the phenomenon of interpenetration (76 unseen by the original authors). These organic networks include species assembled by a single or by different building blocks; they are discussed and classified according to the previously introduced classes of interpenetration and to other criteria peculiar of hydrogen-bonded organic species. Considerations of the possible relations of the building organic species and their network topology and oil the factors determining interpenetration are here presented. The paper is also intended as a contribution to the study of the phenomena of polymorphism and supramolecular isomerism and of the crystal engineering of these complex architectures.
机译：通过使用程序包TOPOS的adhoe版本，通过对晶体结构数据库的系统分析，对扩展的三维（3D）阵列中的互穿进行了研究。在本文中，我们描述了我们从剑桥结构数据库对有机氢键3D阵列中互穿性进行研究的综合结果。人们对有机分子自组装成氢键超分子阵列的极大兴趣促使我们以非常不同的水平研究这些系统。也就是说，除了合成子的形成之外，我们还研究了所得网络的拓扑并寻找它们的纠缠。在3D架构中，我们提取了完整的列表，其中包括122个显示互穿现象的不同图案（原始作者看不到76个）。这些有机网络包括由单个或不同构件组装而成的物种。根据先前介绍的互穿类型以及氢键有机物特有的其他标准对它们进行了讨论和分类。这里介绍了建筑有机物的可能关系及其网络拓扑结构和决定互穿性的因素的考虑。本文还旨在为研究多态性和超分子异构现象以及这些复杂结构的晶体工程做出贡献。

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