Structure of 2,2'-(5-tert-butyl-1,3-phenyl-ene)bis-(1-pentyl-1H-benzimidazol-3-ium) tetra-chlorido-mercurate(II).

ABSTRACT: In the title salt, (C34H44N4)[HgCl4], the [C34H44N4]2+ cations and [HgCl4]2- anions are linked by N-H?Cl hydrogen bonds. One of the two n-pentyl side chains was refined as disordered over two sets of sites, with occupancies of 0.733?(18) and 0.267?(18). The geometry around the HgII atom in the [HgCl4]2- anion is distorted tetra-hedral, with bond angles ranging from 98.16?(3) to 120.68?(3)°. In the [HgCl4]2- anion, there are two short Hg-Cl bonds [2.4120?(9) and 2.4171?(11)?Å], one inter-mediate Hg-Cl bond [2.4716?(12)?Å] and one long Hg-Cl bond [2.6579?(13)?Å] for the Cl atom involved in a trifurcated hydrogen bond as an acceptor, including two N-H?Cl?H-N interactions as well as one C-H?Cl inter-action. There are several C-H?Cl inter-actions, with C?Cl distances ranging from 3.492?(3) to 3.796?(3)?Å. These link the cations and anions into a zigzag chain along the c-axis direction. In addition, there are Cl?Cl halogen bonds, as well as ?-? inter-actions, with centroid-to-centroid distances of 3.4765?(18)?Å, which link one of the two benzimidazole moieties into dimeric units.

SUBMITTER: Rani V 

PROVIDER: S-EPMC5382622 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature