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).
The mercury(II) complex of 2,2'-(5-tert-butyl-1,3-phenyl-ene)bis-(1-pentyl-1H-benz-imidazole), namelycatena-poly[[dihalogenido-mercury(II)]-μ-2,2'-(5-tert-butyl-1,3-phenyl-ene)bis-(1-pentyl-1H-benzimidazole)-κ2N3:N3'], [HgBr1.52Cl0.48(C34H42N4)],2, has a polymeric structure bridgingviathe N atoms from the benzimidazole moieties of the ligand. The compound crystallizes in the ortho-rhom-bic space groupPca21and is a racemic twin [BASF = 0.402 (9)]. The geometry around the HgIIatom is distorted tetra-hedral, with the HgIIatom 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 twotert-butyl groups and benzimidazole moieties showing twofold disorder, with occupancy factors of 0.57 (2):0.43 (2) for thetert-butyl group and 0.73 (3):0.27 (3) for the benzimidazole group. In addition, there is threefold disorder for two of the fourn-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 theb-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.
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India.
Varsha
V
Rani
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India.
Harkesh B
HB
Singh
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
Ray J
https://orcid.org/0000-0003-2770-7076
RJ
Butcher
(benzimidazol-2-yl)benzene ligands; crystal structure; disorder; mercury coordination polymer; single-crystal X-ray study