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Updated: Apr 10, 2026
Preparation of 6-aminocyclohepta-2,4-dien-1-one Derivatives via Tricarbonyltroponeiron
Published on: August 12, 2019
Crystal structure, spectroscopic characterization, and Hirshfeld surface analysis of
José A Méndez-Román1, Alejandro Burgos-Suazo1, Liz N Santiago-Martoral1
1Department of Chemistry University of Puerto Rico at Río Piedras San Juan Puerto Rico 00925-2537 USA.
Abstract:
The title compound, [Fe(C5H5)(C16H11O3)], was synthesized through a Claisen-Schmidt condensation. The title compound crystallizes in the monoclinic space group P21/c with four mol-ecules per unit cell. In the crystal, mol-ecules are arranged in pairs with asymmetrical stacking by O⋯H inter-molecular inter-actions. The ferrocenyl indanone derivative is involved in several inter-molecular inter-actions, including C⋯H, C⋯O, C-H⋯O, and H⋯H contacts. The cyclo-penta-dienyl rings of ferrocene exhibit an average torsion angle of approximately -15.418°. The indanone fragment and the substituted cyclo-penta-dienyl ring are nearly coplanar, forming a dihedral angle of 8.18 (14)°. The Hirshfeld surface analysis qu-anti-fied the contributions from specific inter-actions involving the carbonyl moiety, π-π stacking, and H⋯H contacts. The two-dimensional fingerprint plots and NMR spectra were also analyzed.
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