2-Ferrocenyl-3-meth-oxy-6-methyl-pyridine.

Area of Science:

• Organometallic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Understanding the structural properties of organometallic compounds is crucial for developing new materials.
• The specific interactions within crystal lattices dictate macroscopic properties.
• Iron-based organometallics offer diverse electronic and catalytic applications.

Purpose of the Study:

• To elucidate the crystal structure of the novel compound [Fe(C(5)H(5))(C(12)H(12)NO)].
• To analyze the intermolecular interactions governing the compound's solid-state architecture.
• To provide a foundation for further research into the compound's potential applications.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided detailed structural insights.
• Intermolecular interactions, including hydrogen bonding and C-H···π contacts, were identified and characterized.

Main Results:

• The dihedral angle between the pyridyl and substituted cyclopentadienyl rings was determined to be 23.58(3)°.
• Weak intermolecular C-H⋯N hydrogen bonds were observed, forming chain-like structures along n-glide planes.
• A weak intermolecular C-H⋯π contact was also identified, contributing to the overall crystal packing.

Conclusions:

• The crystal structure of [Fe(C(5)H(5))(C(12)H(12)NO)] is defined by specific ring orientations and intermolecular interactions.
• Hydrogen bonding and C-H⋯π contacts play a significant role in the compound's self-assembly in the solid state.
• This structural characterization provides essential data for understanding the reactivity and properties of this organometallic complex.