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Switching the Macrocycle Conformation from Nonplanar to Planar in Cobalt(II) and Copper(II) β‐Tetra‐2′‐thienyl‐ meso ‐tetraphenylporphyrin Cocrystallates with C 60
Author(s) -
Bhyrappa Puttaiah,
Sarangi Ujwal K.,
Varghese Babu
Publication year - 2014
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201402763
Subject(s) - tetraphenylporphyrin , chemistry , porphyrin , crystallography , copper , crystal structure , cobalt , supramolecular chemistry , crystal (programming language) , tetra , intermolecular force , pyrrole , corrole , ring (chemistry) , photochemistry , molecule , medicinal chemistry , inorganic chemistry , organic chemistry , computer science , programming language
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.