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The Cyclobutanocucurbit[5–8]uril Family: Electronegative Cavities in Contrast to Classical Cucurbituril while the Electropositive Outer Surface Acts as a Crystal Packing Driver
The structural parameters for the cyclobutanoQ[5–8] family were determined through single crystal X-ray diffraction. It was found that the electropositive cyclobutano methylene protons (CH(2)) are important in forming interlinking crystal packing arrangements driven by the dipole–dipole interactions...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8659056/ https://www.ncbi.nlm.nih.gov/pubmed/34885923 http://dx.doi.org/10.3390/molecules26237343 |
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author | Chen, Minghua Lv, Naixia Zhao, Weiwei Day, Anthony I. |
author_facet | Chen, Minghua Lv, Naixia Zhao, Weiwei Day, Anthony I. |
author_sort | Chen, Minghua |
collection | PubMed |
description | The structural parameters for the cyclobutanoQ[5–8] family were determined through single crystal X-ray diffraction. It was found that the electropositive cyclobutano methylene protons (CH(2)) are important in forming interlinking crystal packing arrangements driven by the dipole–dipole interactions between these protons and the portal carbonyl O of a near neighbor. This type of interaction was observed across the whole family. Electrostatic potential maps also confirmed the electropositive nature of the cyclobutano CH(2) but, more importantly, it was established that the cavities are electronegative in contrast to classical Q[5–8], which are near neutral. |
format | Online Article Text |
id | pubmed-8659056 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-86590562021-12-10 The Cyclobutanocucurbit[5–8]uril Family: Electronegative Cavities in Contrast to Classical Cucurbituril while the Electropositive Outer Surface Acts as a Crystal Packing Driver Chen, Minghua Lv, Naixia Zhao, Weiwei Day, Anthony I. Molecules Article The structural parameters for the cyclobutanoQ[5–8] family were determined through single crystal X-ray diffraction. It was found that the electropositive cyclobutano methylene protons (CH(2)) are important in forming interlinking crystal packing arrangements driven by the dipole–dipole interactions between these protons and the portal carbonyl O of a near neighbor. This type of interaction was observed across the whole family. Electrostatic potential maps also confirmed the electropositive nature of the cyclobutano CH(2) but, more importantly, it was established that the cavities are electronegative in contrast to classical Q[5–8], which are near neutral. MDPI 2021-12-03 /pmc/articles/PMC8659056/ /pubmed/34885923 http://dx.doi.org/10.3390/molecules26237343 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Chen, Minghua Lv, Naixia Zhao, Weiwei Day, Anthony I. The Cyclobutanocucurbit[5–8]uril Family: Electronegative Cavities in Contrast to Classical Cucurbituril while the Electropositive Outer Surface Acts as a Crystal Packing Driver |
title | The Cyclobutanocucurbit[5–8]uril Family: Electronegative Cavities in Contrast to Classical Cucurbituril while the Electropositive Outer Surface Acts as a Crystal Packing Driver |
title_full | The Cyclobutanocucurbit[5–8]uril Family: Electronegative Cavities in Contrast to Classical Cucurbituril while the Electropositive Outer Surface Acts as a Crystal Packing Driver |
title_fullStr | The Cyclobutanocucurbit[5–8]uril Family: Electronegative Cavities in Contrast to Classical Cucurbituril while the Electropositive Outer Surface Acts as a Crystal Packing Driver |
title_full_unstemmed | The Cyclobutanocucurbit[5–8]uril Family: Electronegative Cavities in Contrast to Classical Cucurbituril while the Electropositive Outer Surface Acts as a Crystal Packing Driver |
title_short | The Cyclobutanocucurbit[5–8]uril Family: Electronegative Cavities in Contrast to Classical Cucurbituril while the Electropositive Outer Surface Acts as a Crystal Packing Driver |
title_sort | cyclobutanocucurbit[5–8]uril family: electronegative cavities in contrast to classical cucurbituril while the electropositive outer surface acts as a crystal packing driver |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8659056/ https://www.ncbi.nlm.nih.gov/pubmed/34885923 http://dx.doi.org/10.3390/molecules26237343 |
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