Solvatomorphs of Iron(II) Complex with N,N'-Disubstituted 2,6-Bis(pyrazol-3-yl)pyridine with a Temperature-Induced Spin Transition in Solution

Abstract

The reaction of the tridentate ligand 4-(2,6-bis(5-tert-butyl-1-(2,6-dichlorophenyl)-1H-pyrazol-3-yl)pyridin-4-yl)benzonitrile (L) with iron(II) salt gave the complex [Fe(L)2](BF4)2, which was isolated in a pure state and characterized by elemental analysis, NMR spectroscopy, and X-ray diffraction as two crystal polymorphs differing in the nature of the solvent molecule in the crystal (solvatomorphs I and II). According to the results of X-ray diffraction study (CCDC nos. 2104367 (I), 2104368 (II)), the iron(II) ion in these compounds occurs in different spin states and does not undergo a temperature-induced spin transition, which was previously observed for this complex in solution. The details of supramolecular organization of two solvatomorphs that prevent this transition were studied using the Hirshfeld surface analysis.