Literature DB >> 35145741

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

C John McAdam1, Jim Simpson1.   

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


  8 in total

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