The crystal structure of 4′-{4-[(2,2,5,5-tetramethyl-N-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2′:6′,2′′-terpyridine

Abstract

The crystal structure of a nitroxide-substituted terpyridine mol­ecule is presented and discussed.

Crystal structure of 4′-{[4-(2,2′:6′,2′′-terpyridyl-4′-yl)phenyl]ethynyl}biphenyl-4-yl (2,2,5,5-tetramethyl-1-oxyl-3-pyrrolin-3-yl)formate benzene 2.5-solvate

“…It contains a nitroxyl group and a terpyridine (terpy) group which is capable of taking up metal ions. The title compound resembles compound (3) (4 0 -{4- [(2,2,5,5-tetramethyl-N-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2 0 :6 0 ,2 00 -terpyridine), which has an ethynylphenyl spacer (Meyer et al, 2015a), compared to the phenylethynylbiphenyl spacer in the title compound (1). Nitroxyls are of interest in various branches of chemistry including magnetochemistry (Rajca et al, 2006;Fritscher et al, 2002), synthetic chemistry (Hoover & Stahl, 2011;Fey et al, 2001) and structural biology (Reginsson & Schiemann, 2011).…”

“…In (1) the terpy group assumes the usual all-trans conformation (Meyer et al, 2015a;Fallahpour et al, 1999;Eryazici et al, 2006;Bessel et al, 1992;Grave et al, 2003). It is essentially planar with the two outer rings B (N3/C35-C39) and C (N4/ C40-C44) being inclined to the central pyridine ring A (N2/ C30-C34) by 8.70 (15) and 14.55 (14) , respectively.…”