| Literature DB >> 35145741 |
Abstract
The racemic title compound, [Fe(C5H5)(C16H27O2)], 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 mol-ecules along the c-axis direction. A Hirshfeld surface analysis reveals that H⋯H inter-actions (83.2%) dominate the surface contacts. © McAdam and Simpson 2022.Entities:
Keywords: C—H⋯π contact; Hirshfeld surface analysis; crystal structure; ferrocene; hydrogen bonds; undecane-1,11-diol
Year: 2022 PMID: 35145741 PMCID: PMC8819429 DOI: 10.1107/S205698902101358X
Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun