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

The title compound, FeCl4(C5N2H6)(C5N2H5) consists of two [(C5N2H6) (C5N2H5)]+ organic cations and [FeCl4]- 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, P21/c space group with a = 7.598 (3) A, b = 13.694 (4) A, c = 17.105 (5) A, β = 97.203 (6)° V = 1765.7 (10) A3 and Z = 4. The [FeCl4]- anion and [(C5N2H6)(C5N2H5)]+ 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.