Crystal structure of the magnesium salt of the herbicide 2,4-D: penta-aqua-[(2,4-di-chloro-phenoxy)acetato-?O]magnesium (2,4-di-chloro-phen-oxy)acetate hemihydrate.

ABSTRACT: In the crystal structure of the title magnesium salt of the phen-oxy herbicide (2,4-di-chloro-phen-oxy)acetic acid (2,4-D), [Mg(C8H5Cl2O3)(H2O)5](C8H5Cl2O3)·0.5H2O, the discrete cationic MgO6 complex unit comprises a carboxyl-ate O-donor from a monodentate 2,4-D anionic ligand and five water mol-ecules, resulting in a slightly distorted octa-hedral coordination sphere. The free 2,4-D anions are linked to the complex units through duplex water-carboxyl-ate O-H?O hydrogen bonds through the coordinating water mol-ecules. In the crystal, inter-unit O-H?O hydrogen-bonding inter-actions involving coordinating water mol-ecules as well as the solvent water mol-ecule (occupancy 0.5) with carboxyl-ate O-atom acceptors, give a layered structure lying parallel to (001), in which ?-? ligand-cation inter-actions [minimum ring centroid separation = 3.6405?(17)?Å] and a short O-H?Cl inter-action are also found.

SUBMITTER: Smith G 

PROVIDER: S-EPMC4257221 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature