Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes

[Image: see text] The present article deals with an one-to-one structure–property correspondence of a dinuclear iron complex, [Dipic(H(2)O)FeOH](2)·H(2)O (1) (Dipic = pyridine-2,6-dicarboxylic acid). Variable-temperature X-ray single-crystal structural analysis confirms a phase transition of complex 1 to complex 2 ([Dipic(H(2)O)FeOH](2)) at 120 °C. Further, single-crystal-to-single-crystal (SCSC) transformation was monitored by temperature-dependent single crystal X-ray diffraction, powder X-ray diffraction, time-dependent Fourier-transform infrared spectroscopy, and differential scanning calorimetry. SCSC transformation brings the change in space group of single crystal. Complex 1 crystallizes in the C2/c space group, whereas complex 2 crystallizes in the Pi̅ space group. SCSC transformation brings the change in packing diagram as well. Complex 1 shows two-dimensional network through H-bonding, whereas the packing diagram of complex 2 shows a zigzag-like arrangement. Phase transformation not only fetches structural changes but also in the magnetic properties. Difference in Fe–O–Fe bond angles of two complexes creates notable variation in their antiferromagnetic interactions with adjacent metal centers.