4-[(E)-2-Ferrocenylethen-yl]-1,8-naphthalic anhydride

Area of Science:

• Organometallic Chemistry
• Crystal Engineering
• Supramolecular Chemistry

Background:

• Ferrocene derivatives are versatile organometallic compounds with diverse applications.
• Naphthalic anhydride serves as a key building block in materials science.
• Understanding intermolecular interactions is crucial for designing advanced materials.

Purpose of the Study:

• To elucidate the crystal structure of the [Fe(C5H5)(C19H11O3)] compound.
• To investigate the role of π-π and C-H⋯π interactions in molecular self-assembly.
• To characterize the supramolecular architecture formed by these interactions.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of intermolecular distances and angles to identify specific non-covalent interactions.
• Visualization and characterization of the resulting supramolecular network.

Main Results:

• The crystal structure exhibits a distinct tilt angle (14.17°) between the ferrocene and naphthalic anhydride ring systems.
• Centrosymmetric dimers are formed via π-π interactions between ferrocene and naphthalic anhydride units (3.624 Å).
• Further π-π interactions between naphthalene units (3.45 Å) and C-H⋯π interactions contribute to a 2D sheet-like structure.

Conclusions:

• The study successfully characterized the crystal packing of the title compound.
• Specific π-π and C-H⋯π interactions dictate the formation of a 2D supramolecular architecture.
• The findings provide insights into the rational design of organometallic materials with tailored structural properties.