Crystal structure and Hirshfeld surface analysis of [FeCl 4 ( L H) 2 ] ( L H = 1 H -imidazo[4,5- b ]pyridin-4-ium)
Year: 2025
Type: article
Abstract: The title coordination complex tetrachloridobis(1 H -imidazo[4,5- b ]pyridin-4-ium-κ N 3 )iron(II), [FeCl 4 (C 6 H 6 N 3 ) 2 ] or [FeCl 4 (LH) 2 ], was synthesized and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in the triclinic space group P 1 . The iron atom (site symmetry \overline{1}) is hexa-coordinated, adopting a slightly distorted octahedral geometry defined by two 1 H -imidazo[4,5- b ]pyridinium ligands and four chloride anions. In the crystal, N—H...Cl hydrogen bonds generate two-dimensional layers parallel to the ab plane, while the three-dimensional supramolecular framework is further consolidated by C—H...Cl interactions. In addition, π–π stacking interactions contribute to the overall cohesion of the crystal structure. Hirshfeld surface analysis indicates the significance of various intermolecular contacts in the crystal packing, with major contributions from Cl...H/H...Cl (43.2%), H...H (22.5%), C...H/H...C (16.4%), H...N/N...H (4.4%), N...C/C...N (3.7%), C...C (3.6%), Cl...N/N...Cl (3.2%), Cl...C/C...Cl (2.4%), and N...N (0.6%) interactions.
Authors: Soffa Imene, Bouhidel Zakaria, Sahli Kaouther, Cherouana Aouatef, Bendeif El-Eulmi
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W7109035578