Structural Study, Vibrational, Optical, Thermal Properties and Hirshfeld Surface Analysis of a New Iron (III) Complex: FeCl<sub>4</sub>(C<sub>5</sub>N<sub>2</sub>H<sub>6</sub>)(C<sub>5</sub>N<sub>2</sub>H<sub>5</sub>)

Abstract

The title compound, FeCl 4 (C 5 N 2 H 6 )(C 5 N 2 H 5 ) consists of two [(C 5 N 2 H 6 ) (C 5 N 2 H 5 )] + organic cations and [FeCl 4 ] − anion. The geometry of the iron ion is tetrahedral, formed by four chlorine atoms. The complex was characterized by single crystal X-ray diffraction, Fourier Transform Infrared spectroscopy, thermal analysis and UV-Visible spectroscopy. Hirshfeld surface analysis was also used for understanding the intermolecular interactions in the crystal packing. Single-crystal X-ray diffraction analysis indicates that this complex crystallizes in the monoclinic system, P2 1 /c space group with a = 7.598 (3) Å, b = 13.694 (4) Å, c = 17.105 (5) Å, β = 97.203 (6)˚ V = 1765.7 (10) Å 3 and Z = 4. The [FeCl 4 ] − anion and [(C 5 N 2 H 6 )(C 5 N 2 H 5 )] + cations are linked through three-dimensional hydrogen-bonding network consisting of N-H•••Cl and π-π interactions. Hirshfeld surface analysis and the related 2D fingerprint plots reveal that the complex is dominated by N-H•••Cl contacts.