Due to the increasing demand for novel antimicrobials agents to treat microbial infections, the current work, focused on the synthesis of new agents owing innovative chemistry and modes of action. We describe an organic‐inorganic hybrid compound with the formula (C8H14N2)4[(FeCl6)(FeCl4)]Cl4, it was synthesized via slow evaporation at room temperature, and characterized using various techniques. The compound crystallizes in the tetragonal system, with I41/a space group. In the crystal structure, the organic layers are made up of protonated m‐Xylylene diamine (C8H14N2)2+ creating between them free tunnels, in which inorganic entities can be placed. These entities contain one octahedral (FeCl6)3− ion, one tetrahedral (FeCl4)−, and uncoordinated chlorine anions. Crystal cohesion is achieved through N−H…Cl hydrogen bonds and Cl…Cl interactions. The UV‐vis spectroscopy was investigated and the optical band gap energy 2.00 eV suggests the semiconductor behavior of the title compound. The functional groups present in the crystal structure were performed by FTIR spectroscopy. Thermal analysis was also carried out. Analysis of the Hirshfeld surface revealed that the H…Cl/Cl…H interactions dominate the structure (74 %). The new Fe(III) complex gave strong antibacterial potential against S. aureus, E. coli, M. luteus, it was able to inhibit growth of Candida species and Trichophyton intergiditale and showing lysozyme activity.