Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core

• Published in: RSC advances Vol. 13; no. 44; pp. 3625 - 3632
• Main Authors: Chaudhary, Simran, K dziera, Dariusz, Rafi ski, Zbigniew, Dobrza ska, Liliana
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 18.10.2023; The Royal Society of Chemistry
• Subjects: Chemistry; Crystal lattices; Crystallization; Intermolecular forces; Lattice energy; Ligands; Metastable phases; Polymorphism; Solvents; Thermal analysis
• ISSN: 2046-2069; 2046-2069
• DOI: 10.1039/d3ra05713e

Polymorph screenings for two related dipodal N-donor ligands containing a biphenyl core, namely 4,4′-bis(pyridin-4-ylmethyl)-1,1′-biphenyl ( 1 ) and 4,4′-bis(1 H -imidazol-1-ylmethyl)-1,1′-biphenyl ( 2 ) were performed, and the new phases were isolated and their crystal structures analysed. Profiling included methods such as PXRD and thermal analysis. Hirshfeld surface analyses, as well as crystal lattice energy calculations provided deeper insight in the interplay of the intermolecular forces and the stability of the isolated phases. Furthermore, our studies revealed the presence of solvent-induced polymorphism, whereby the metastable phase is dominant upon crystallisation from THF ( 1a ) and EtOH ( 2c ). Upon heating, these phases transform into a more stable form, whereby the transformations were followed by PXRD studies ( 1 , 2 ). Polymorph screenings performed for two related dipodal N-donor ligands containing a biphenyl core revealed solvent-induced polymorphism.