N-(Quinolin-8-yl)ferrocene-1-carbox-amide

Area of Science:

• Organometallic Chemistry
• Crystallography
• Coordination Chemistry

Background:

• Understanding the structural nuances of organometallic compounds is crucial for designing new materials.
• Iron-based organometallic complexes exhibit diverse electronic and catalytic properties.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, [Fe(C(5)H(5))(C(15)H(11)N(2)O)].
• To analyze the geometric parameters, including ring orientation and substituent planarity.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular structure.
• Geometric parameters such as dihedral angles and torsion angles were calculated.

Main Results:

• The cyclopentadienyl rings in the iron complex are nearly eclipsed, with a dihedral angle of 0.632(10)°.
• The iron atom is asymmetrically positioned between the rings, closer to the substituted ring.
• The amide group is nearly coplanar with the substituted cyclopentadienyl ring (torsion angle 2.3(3)°).

Conclusions:

• The structural data provides a precise description of the bonding and steric environment in this iron organometallic complex.
• The observed geometry offers insights into potential reactivity and electronic properties relevant to catalysis and materials science.