Anisotropic thermal expansion effects in layered n-Alkyl carboxylic acid – bipyridyl cocrystals

IF 2.1 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Supramolecular Chemistry Pub Date : 2021-10-03 DOI:10.1080/10610278.2022.2117623

Amy V. Hall, D. Yufit, Yingfeng Zhang, O. Musa, J. Steed

引用次数: 0

Abstract

ABSTRACT Cocrystallisation of butanoic acid (BA), pentanoic acid (PA), and eicosanoic acid (EA) with 4,4’-azopyridine (azp) and trans-1,2-bis(4-pyridyl)ethylene (bpe) results in 2:1 lamellar cocrystals. All cocrystals display the OH···Npyridyl seven-membered ring supramolecular synthon however, each cocrystal responds differently upon heating. Positive thermal expansion (PTE) occurs along the c-axis due to π···π stacking in the isostructural BA cocrystals, while the PA cocrystals are not isostructural and display a mixture of anti and gauche conformations of the acid chains because of the length mismatch with the coformer. PA2·azp displays negative thermal expansion (NTE) of the intrasynthon C···O hydrogen bond. The two EA cocrystals both display c-axis elongation on warming due to the expansion of the distance between the alkyl chains. The expansion by more than 1 Å in EA2·azp is highly anisotropic, however, there is much less c-axis expansion in EA2·bpe. Graphical Abstract

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层状n-烷基羧酸-联吡啶共晶的各向异性热膨胀效应

丁酸(BA)、戊酸(PA)和二十烷酸(EA)与4,4′-偶氮吡啶(azp)和反式-1,2-二(4-吡啶基)乙烯(bpe)共结晶得到2:1的片层状共晶。所有共晶均显示OH···Npyridyl七元环超分子合成，但每种共晶在加热时的反应不同。BA共晶由于π··π堆积，沿c轴发生正热膨胀(PTE)，而PA共晶则由于与共晶长度不匹配，呈现反和扭相混合的酸链构象。PA2·azp表现为C··O内氢键的负热膨胀(NTE)。由于烷基链之间的距离扩大，两个EA共晶在升温时均表现出c轴伸长。EA2·azp中c轴扩展幅度大于1 Å具有高度的各向异性，而EA2·bpe中c轴扩展幅度要小得多。图形抽象

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Supramolecular Chemistry 化学-化学综合

CiteScore

3.60

自引率

3.00%

发文量

审稿时长

2.7 months

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