Crystal structure of {2,6-bis[(dimethylamino)methyl]phenyl-κ³N,C¹,N′}(bromido/chlorido)mercury(II)

Abstract

In the molecular structure of the title compound, {2,6-bis[(dimethylamino)methyl]phenyl-κ3N,C1,N′}[bromido/chlorido(0.30/0.70)]mercury(II)–{2,6-bis[(dimethylamino)methyl]phenyl-κ3N,C1,N′}[bromido/chlorido(0.24/0.76)]mercury(II) (1/1), [HgBr0.30Cl0.70(C12H19N2)]·[HgBr0.24Cl0.76(C12H19N2)], there are two molecules in the asymmetric unit of formulaLHgX{L= 2,6-bis[(dimethylamino)methyl]phenyl andX= Cl/Br}. In each molecule, the halide site is mixed Cl/Br, with occupancies of 0.699 (7):0.301 (7) and 0.763 (7):0.237 (7), respectively. The two molecules are linked into dimers by a combination of Hg...Hg [Hg...Hg = 3.6153 (3) Å] and C—H...Cl and C—H...π interactions.

{2,6-Bis[(dimethylamino)methyl]phenyl} mercury(II) acetate, [2,6-(Me2NCH2)C6H3]Hg(OAc) – a useful intermediate for selective palladation of 1,3-(Me2NCH2)2C6H4

“…In both these last strategies difficulties can arise in controlling the lithiation of the NC(H)N pincer proligand due to lithiated side-products, 26 or impurification with the related bromide, [2,6-(Me 2 NCH 2 ) 2 C 6 H 3 ]HgBr, due to halogen exchange promoted by the residual LiBr available in the reaction mixture. 33 A proof that such halogen exchange reaction can take place is the reported single-crystal X-ray structure of the mixed-halide species [2,6-(Me 2 NCH 2 ) 2 C 6 H 3 ]HgX (X = Cl/Br). 33…”

“…33 A proof that such halogen exchange reaction can take place is the reported single-crystal X-ray structure of the mixed-halide species [2,6-(Me 2 NCH 2 ) 2 C 6 H 3 ]HgX (X = Cl/Br). 33…”