Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2'-(5-tert-butyl-1,3-phenyl-ene)bis-(1-pentyl-1H-benzo[d]imidazole).

ABSTRACT: The mercury(II) complex of 2,2'-(5-tert-butyl-1,3-phenyl-ene)bis-(1-pentyl-1H-benz-imidazole), namely catena-poly[[dihalogenido-mercury(II)]-?-2,2'-(5-tert-butyl-1,3-phenyl-ene)bis-(1-pentyl-1H-benzimidazole)-?²N³:N^3'], [HgBr_1.52Cl_0.48(C₃₄H₄₂N₄)], 2, has a polymeric structure bridging via the N atoms from the benzimidazole moieties of the ligand. The compound crystallizes in the ortho-rhom-bic space group Pca2₁ and is a racemic twin [BASF = 0.402?(9)]. The geometry around the Hg^II atom is distorted tetra-hedral, with the Hg^II atom coordinated to two N atoms, one Br atom, and a fourth coordination site is occupied by a mixed halide (Br/Cl). For the two ligands in the asymmetric unit, there is disorder with one of the two tert-butyl groups and benzimidazole moieties showing twofold disorder, with occupancy factors of 0.57?(2):0.43?(2) for the tert-butyl group and 0.73?(3):0.27?(3) for the benzimidazole group. In addition, there is threefold disorder for two of the four n-pentyl groups, with occupancy factors of 0.669?(4):0.177?(4):0.154?(4) and 0.662?(4):0.224?(4):0.154?(4), respectively. The mol-ecules form a one-dimensional helical polymer propagating in the b-axis direction. The helices are held together by intra-strand C-H?Br and C-H?Cl inter-actions. Each strand is further linked by inter-strand C-H?Br and C-H?Cl inter-actions. In addition, there are weak C-H?N inter-strand inter-actions which further stabilize the structural arrangement.

SUBMITTER: Rani V 

PROVIDER: S-EPMC5347069 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature