Synthesis, Crystal Structure, and Hirshfeld Surface Analysis of a Bis(1,10-Phenanthroline) Manganese(II) Complex

Abstract

The bis(1,10-phenanthroline) manganese(II) complex, [Mn(Phen)2Cl2], was successfully synthesised and comprehensively characterised by single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), and Hirshfeld surface analysis. Single-crystal X-ray diffraction revealed that the complex crystallises in the monoclinic crystal system, with the Mn(II) centre adopting a distorted octahedral coordination geometry formed by four nitrogen atoms from two bidentate 1,10-phenanthroline ligands and two chloride ions. PXRD analysis confirmed the phase purity of the synthesised compound and demonstrated excellent agreement between the experimental and simulated diffraction patterns, indicating a highly ordered crystalline structure. Hirshfeld surface analysis indicated that the crystal packing is mainly governed by H···H, C···H/H···C, and Cl···H/H···Cl intermolecular contacts, highlighting the important role of van der Waals and electrostatic interactions in stabilising the crystal structure. The combined structural analyses provide a comprehensive understanding of the molecular geometry, intermolecular interactions, and crystal packing of the title manganese(II) complex.