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首页> 外文期刊>Crystal growth & design >Smart Polymorphism of Thiacalix[4]arene with Long-Chain Amide Containing Substituents
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Smart Polymorphism of Thiacalix[4]arene with Long-Chain Amide Containing Substituents

机译：ThiCalix的智能多态性[4]芳烃，含有含有取代基的长链酰胺

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摘要

A problem of controlled (smart) formation of polymorphs was solved for a set of tert-butylthiacalix[4]arene derivatives with four N-(2-acetoxyethyl)carbamoylmethoxy substituents at the lower rim with 1,3-alternate, cone, and partial cone conformations. For this, an effective polymorph screening with a reproducible influence of preparation history was achieved using guest vapor inclusion and a standard state of host glass powder. By this procedure with consequent guest release and heating, the ability of the studied calixarenes for polymorphism was investigated and compared as a function of their macrocycle conformation. The data of simultaneous thermogravimetry and differential scanning calorimetry with mass spectrometry of evolved vapors were determined together with the data of powder X-ray diffraction for the initial host samples, intermediate clathrates, and final polymorphs. In addition, single crystal X-ray diffraction data were obtained for four crystalline forms of the studied calixarenes. The results yielded a structure property relationship, where 1,3-alternate calixarene without an extended H-bonded supramolecular network at least in one crystalline form has a much higher ability for polymorphism than the other two conformations. Thus, 10 polymorphs with essentially different crystal packing were found for this calixarene including a unique tetramorphism with four consecutive melting points of guest-free polymorph and corresponding three crystallization ranges. This ability of 1,3-alternate calixarene is linked with its other smart property: selective crystallization of its compact glass in vapors of binary liquid mixtures, which can be used for visual detection of very small benzene impurities (0.5% (v/v)) in cyclohexane.
机译：求解（智能）多晶型物形成的问题，用于一组叔丁基芳基[4]芳烃衍生物，其在下缘在下边缘，1,3-交替，锥形和部分锥形构象。为此，利用客人蒸气夹杂物和宿主玻璃粉末的标准状态实现了具有可再现性历史影响的有效多晶型筛选。通过这种方法，随后的客人释放和加热，研究了研究钙屈剂量的多态性的能力，并与它们的宏观组合的函数进行比较。与初始宿主样品，中间包合物和最终多晶型物的粉末X射线衍射的数据一起测定具有进化蒸气的质谱和差分扫描量热法和差示扫描量热法。此外，获得了四种晶体形式的单晶X射线衍射数据，研究了CALIXARENES。结果产生了结构性关系，其中至少一种结晶形式的延伸的H键合的超分子网络的1,3-替代的钙含量具有比其他两个构象更高的多态性能力。因此，发现具有基本上不同的晶体填料的10种多晶型物用于该钙烷，包括具有独特的四晶态，其具有四种无众不可分电偶的四个连续熔点和相应的三个结晶范围。 1,3-交替钙烷的这种能力与其其他智能特性有关：在二元液体混合物中的蒸气中选择性结晶，可用于非常小的苯杂质（0.5％（v / v）的视觉检测（0.5％（v / v） ）在环己烷中。

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