Structural characterization of two tetra-chlorido-zincate salts of 4-carb-oxy-1H-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate.

ABSTRACT: Imidazole-containing compounds exhibit a myriad of pharmacological activities. Two tetra-chlorido-zincate salts of 4-carb-oxy-1H-imidazol-3-ium, ImHCO₂H⁺, are reported. Bis(4-carb-oxy-1H-imidazol-3-ium) tetra-chlorido-zincate monohydrate, (C₄H₅N₂O₂)₂[ZnCl₄]·H₂O, (I), crystallizes as a monohydrate salt, while bis-(4-carb-oxy-1H-imidazol-3-ium) tetra-chlorido-zincate bis-(1H-imidazol-3-ium-4-carboxyl-ato) monohydrate, (C₄H₅N₂O₂)₂[ZnCl₄]·2C₄H₄N₂O₂·H₂O, (II), is a co-crystal salt with six residues: two ImHCO₂H⁺ cations, two formula units of the zwitterionic 1H-imidazol-3-ium-4-carboxyl-ate, ImHCO₂, one tetra-chlorido-zincate anion and one water mol-ecule disordered over two sites in a 0.60?(4):0.40?(4) ratio. The geometric parameters of the ImHCO₂H⁺ and the ImHCO₂ moieties are the same within the standard uncertainties of the measurements. Both compounds exhibit extensive hydrogen bonding, including involvement of the tetra-chlorido-zincate anion, resulting in inter-connected chains of anions joined by water mol-ecules.

SUBMITTER: Martens SJ 

PROVIDER: S-EPMC5290557 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature