Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour,CrystEngComm

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Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour
CrystEngComm ( IF 2.6 ) Pub Date : 2020-09-02 , DOI: 10.1039/d0ce01136c
Giovanni Pierri _{1,

2,

3,

4} , Rosaria Schettini _{1,

2,

3,

4} , Jürgen Nuss _{5,

6,

7} , Robert E. Dinnebier _{5,

6,

7} , Francesco De Riccardis _{1,

2,

3,

4} , Irene Izzo _{1,

2,

3,

4} , Consiglia Tedesco _{1,

2,

3,

4}

Affiliation

The solid state assembly of two cyclic hexapeptoids decorated respectively with five and six carbon N-alkyl side chains is analyzed by single crystal X-ray diffraction, intermolecular energies and lattice energy calculations. Thermal analysis and variable temperature X-ray powder diffraction were also carried out to analyze their thermal behaviour. The crystal structures of the two compounds feature architectural similarities, but also small relevant differences due to side chains-to-side chains interactions, which can explain the observed differences in the thermal properties. The compound with N-pentyl side chains exhibits a phase transition upon cooling down from room temperature to 100 K, while that with N-hexyl side chains features no phase transformation on cooling, instead a phase transformation occurs at 335 K upon heating.

中文翻译：

具有N-烷基侧链的环状六肽：固态组装和热行为

通过单晶X射线衍射，分子间能和晶格能计算，分析了分别用五个和六个碳N-烷基侧链修饰的两个环状六肽的固态组装。还进行了热分析和可变温度X射线粉末衍射以分析它们的热行为。两种化合物的晶体结构具有结构上的相似性，但由于侧链之间的相互作用而引起的相关差异也很小，这可以解释所观察到的热性质差异。具有N-戊基侧链的化合物在从室温冷却至100 K时表现出相变，而具有N己基侧链在冷却时无相变，而在加热时在335 K时发生相变。

更新日期：2020-10-05

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