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Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane
The title compounds, C(13)H(18)O(3)Si (1) and C(18)H(20)O(3)Si (2), represent functionalizable dihydrofuranylsilanes, which permit substitution by a variety of nucleophiles. The crystal structures of 1 and 2 display weak intermolecular C—H⋯O hydrogen-bonding interactions (quantified by Hirsh...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472748/ https://www.ncbi.nlm.nih.gov/pubmed/32939310 http://dx.doi.org/10.1107/S2056989020011470 |
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author | Krupp, Anna Barth, Eva Rebecca Seymen, Rana Strohmann, Carsten |
author_facet | Krupp, Anna Barth, Eva Rebecca Seymen, Rana Strohmann, Carsten |
author_sort | Krupp, Anna |
collection | PubMed |
description | The title compounds, C(13)H(18)O(3)Si (1) and C(18)H(20)O(3)Si (2), represent functionalizable dihydrofuranylsilanes, which permit substitution by a variety of nucleophiles. The crystal structures of 1 and 2 display weak intermolecular C—H⋯O hydrogen-bonding interactions (quantified by Hirshfeld surface analysis), leading to a two-dimensional supramolecular network for 1 and a one-dimensional supramolecular network for 2. The crystal structures of 1 and 2 were refined both on the basis of the independent atom model (IAM) and the Hirshfeld atom refinement (HAR) approach, and the results are comparatively discussed. |
format | Online Article Text |
id | pubmed-7472748 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-74727482020-09-15 Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane Krupp, Anna Barth, Eva Rebecca Seymen, Rana Strohmann, Carsten Acta Crystallogr E Crystallogr Commun Research Communications The title compounds, C(13)H(18)O(3)Si (1) and C(18)H(20)O(3)Si (2), represent functionalizable dihydrofuranylsilanes, which permit substitution by a variety of nucleophiles. The crystal structures of 1 and 2 display weak intermolecular C—H⋯O hydrogen-bonding interactions (quantified by Hirshfeld surface analysis), leading to a two-dimensional supramolecular network for 1 and a one-dimensional supramolecular network for 2. The crystal structures of 1 and 2 were refined both on the basis of the independent atom model (IAM) and the Hirshfeld atom refinement (HAR) approach, and the results are comparatively discussed. International Union of Crystallography 2020-08-28 /pmc/articles/PMC7472748/ /pubmed/32939310 http://dx.doi.org/10.1107/S2056989020011470 Text en © Krupp et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Krupp, Anna Barth, Eva Rebecca Seymen, Rana Strohmann, Carsten Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane |
title | Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane |
title_full | Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane |
title_fullStr | Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane |
title_full_unstemmed | Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane |
title_short | Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane |
title_sort | crystal structures, hirshfeld atom refinements and hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472748/ https://www.ncbi.nlm.nih.gov/pubmed/32939310 http://dx.doi.org/10.1107/S2056989020011470 |
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