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

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.

SUBMITTER: McAdam CJ 

PROVIDER: S-EPMC8819429 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature