Switching the Macrocycle Conformation from Nonplanar to Planar in Cobalt(II) and Copper(II) β‐Tetra‐2′‐thienyl‐meso‐tetraphenylporphyrin Cocrystallates with C60

Abstract

AbstractCrystal structures of cobalt(II) and copper(II) complexes of 2,3,12,13‐tetra‐2′‐thienyl‐5,10,15,20‐tetraphenylporphyrin/C60 cocrystallates were determined by single‐crystal XRD analysis. The crystal structures of the two cocrystallates, MTPP(2′‐thienyl)4·C60·(toluene)2 (M = CoII and CuII; TPP = tetraphenylporphyrin), compounds 1 and 2, respectively, are isomorphous and reveal a one‐dimensional (1D) supramolecular structure. In these cocrystallates, the macrocycle is almost planar within ±0.08 Å, as evidenced by comparing the value of ΔCb (the average deviation of the β‐pyrrole carbon from the porphyrin ring mean plane) with those for the nonplanar parent structures, CoTPP(2′‐thienyl)4 [±0.710(5) Å] and CuTPP(2′‐thienyl)4 [±0.546(2) Å]. This difference has been ascribed to intermolecular interactions and/or crystal packing forces.