Switching the Macrocycle Conformation from Nonplanar to Planar in Cobalt(II) and Copper(II) β‐Tetra‐2′‐thienyl‐ meso ‐tetraphenylporphyrin Cocrystallates with C 60

• Published in: European journal of inorganic chemistry 2014-11, Vol.2014 (33), p.5646-5650
• Main Authors: Bhyrappa, Puttaiah, Sarangi, Ujwal K., Varghese, Babu
• Format: Article
• Language: English
• ISSN: 1434-1948; 1099-0682
• DOI: 10.1002/ejic.201402763

Crystal structures of cobalt(II) and copper(II) complexes of 2,3,12,13‐tetra‐2′‐thienyl‐5,10,15,20‐tetraphenylporphyrin/C 60 cocrystallates were determined by single‐crystal XRD analysis. The crystal structures of the two cocrystallates, MTPP(2′‐thienyl) 4 · C 60 · (toluene) 2 (M = Co II and Cu II ; 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 Δ C b (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.