Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol

The racemic title compound, [Fe(C(5)H(5))(C(16)H(27)O(2))], comprises an α,ω-diol-substituted undecyl chain with a ferrocenyl substituent at at one terminus. The alkane chain is inclined to the substituted ring of the ferrocene grouping by 84.22 (13)°. The ferrocene rings are almost eclipsed and par...

Descripción completa

Detalles Bibliográficos
Autores principales: McAdam, C. John, Simpson, Jim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819429/
https://www.ncbi.nlm.nih.gov/pubmed/35145741
http://dx.doi.org/10.1107/S205698902101358X
_version_ 1784646059599855616
author McAdam, C. John
Simpson, Jim
author_facet McAdam, C. John
Simpson, Jim
author_sort McAdam, C. John
collection PubMed
description The racemic title compound, [Fe(C(5)H(5))(C(16)H(27)O(2))], comprises an α,ω-diol-substituted undecyl chain with a ferrocenyl substituent at at one terminus. The alkane chain is inclined to the substituted ring of the ferrocene grouping by 84.22 (13)°. The ferrocene rings are almost eclipsed and parallel. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π contacts that stack the mol­ecules along the c-axis direction. A Hirshfeld surface analysis reveals that H⋯H inter­actions (83.2%) dominate the surface contacts.
format Online
Article
Text
id pubmed-8819429
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-88194292022-02-09 Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol McAdam, C. John Simpson, Jim Acta Crystallogr E Crystallogr Commun Research Communications The racemic title compound, [Fe(C(5)H(5))(C(16)H(27)O(2))], comprises an α,ω-diol-substituted undecyl chain with a ferrocenyl substituent at at one terminus. The alkane chain is inclined to the substituted ring of the ferrocene grouping by 84.22 (13)°. The ferrocene rings are almost eclipsed and parallel. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π contacts that stack the mol­ecules along the c-axis direction. A Hirshfeld surface analysis reveals that H⋯H inter­actions (83.2%) dominate the surface contacts. International Union of Crystallography 2022-01-07 /pmc/articles/PMC8819429/ /pubmed/35145741 http://dx.doi.org/10.1107/S205698902101358X Text en © McAdam and Simpson 2022 https://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.
spellingShingle Research Communications
McAdam, C. John
Simpson, Jim
Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol
title Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol
title_full Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol
title_fullStr Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol
title_full_unstemmed Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol
title_short Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol
title_sort synthesis, crystal structure and hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819429/
https://www.ncbi.nlm.nih.gov/pubmed/35145741
http://dx.doi.org/10.1107/S205698902101358X
work_keys_str_mv AT mcadamcjohn synthesiscrystalstructureandhirshfeldsurfaceanalysisof1ferrocenylundecane111diol
AT simpsonjim synthesiscrystalstructureandhirshfeldsurfaceanalysisof1ferrocenylundecane111diol

Ejemplares similares