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Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization

Liquid molecules are difficult to crystallize, and their structures and absolute configurations cannot be directly determined by X-ray crystallography. We herein report the rapid cocrystallization of tetraaryladamantanes with liquid molecules. The structure of the liquid small molecules can be obtai...

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Autores principales: Ou, Guang-Chuan, Chen, Hai-Yang, Wang, Qiong, Zhou, Qiang, Zeng, Fei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8981717/
https://www.ncbi.nlm.nih.gov/pubmed/35424635
http://dx.doi.org/10.1039/d1ra09284g
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author Ou, Guang-Chuan
Chen, Hai-Yang
Wang, Qiong
Zhou, Qiang
Zeng, Fei
author_facet Ou, Guang-Chuan
Chen, Hai-Yang
Wang, Qiong
Zhou, Qiang
Zeng, Fei
author_sort Ou, Guang-Chuan
collection PubMed
description Liquid molecules are difficult to crystallize, and their structures and absolute configurations cannot be directly determined by X-ray crystallography. We herein report the rapid cocrystallization of tetraaryladamantanes with liquid molecules. The structure of the liquid small molecules can be obtained by determining the crystal structure of the cocrystallized compound. The absolute configuration of chiral molecules can also be assigned, which cannot be accomplished by other methods such as nuclear magnetic resonance. In this paper, liquid compounds such as phenylethanol and phenylpropanol derivatives were selected. 1,3,5,7-Tetrakis(2,4-diethoxyphenyl)adamantane (TEO) powder was heated and dissolved in liquid molecules and allowed to stand overnight to undergo cocrystallization. The results show that the single-crystal structures and the absolute configurations of 16 liquid molecules were determined by cocrystallization, and the homochiral natures of chiral compounds were confirmed by solid circular dichroism spectral measurements.
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spelling pubmed-89817172022-04-13 Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization Ou, Guang-Chuan Chen, Hai-Yang Wang, Qiong Zhou, Qiang Zeng, Fei RSC Adv Chemistry Liquid molecules are difficult to crystallize, and their structures and absolute configurations cannot be directly determined by X-ray crystallography. We herein report the rapid cocrystallization of tetraaryladamantanes with liquid molecules. The structure of the liquid small molecules can be obtained by determining the crystal structure of the cocrystallized compound. The absolute configuration of chiral molecules can also be assigned, which cannot be accomplished by other methods such as nuclear magnetic resonance. In this paper, liquid compounds such as phenylethanol and phenylpropanol derivatives were selected. 1,3,5,7-Tetrakis(2,4-diethoxyphenyl)adamantane (TEO) powder was heated and dissolved in liquid molecules and allowed to stand overnight to undergo cocrystallization. The results show that the single-crystal structures and the absolute configurations of 16 liquid molecules were determined by cocrystallization, and the homochiral natures of chiral compounds were confirmed by solid circular dichroism spectral measurements. The Royal Society of Chemistry 2022-02-23 /pmc/articles/PMC8981717/ /pubmed/35424635 http://dx.doi.org/10.1039/d1ra09284g Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Ou, Guang-Chuan
Chen, Hai-Yang
Wang, Qiong
Zhou, Qiang
Zeng, Fei
Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
title Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
title_full Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
title_fullStr Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
title_full_unstemmed Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
title_short Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
title_sort structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8981717/
https://www.ncbi.nlm.nih.gov/pubmed/35424635
http://dx.doi.org/10.1039/d1ra09284g
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