TITLE:
Structural Study, Vibrational, Optical, Thermal Properties and Hirshfeld Surface Analysis of a New Iron (III) Complex: FeCl4(C5N2H6)(C5N2H5)
AUTHORS:
Amal Arouri, Rihab Dridi, Riadh Kefi, Mohamed Faouzi Zid
KEYWORDS:
Complex, Crystal Structure, X-Ray Analysis, Optical Study, Thermal Analysis, Hirshfeld Surface
JOURNAL NAME:
Crystal Structure Theory and Applications,
Vol.10 No.1,
February
24,
2021
ABSTRACT: 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) Å, b = 13.694 (4) Å, c = 17.105 (5) Å, β = 97.203 (6)° V = 1765.7 (10) Å3 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.