Intra- and supra-molecular inter-actions in cis,mer-diaqua-tris-(1H-imidazole-?N(3))(terephthalato-?O)cobalt(II) monohydrate.

ABSTRACT: In the title compound, [Co(C(8)H(4)O(4))(C(3)H(4)N(2))(3)(H(2)O)(2)]·H(2)O, the cisoid angles are in the range 85.59?(5)-93.56?(5)°, while two equal transoid angles deviate significantly from the ideal linear angle, the third being almost linear. One carboxyl-ate group is almost coplanar [1.23?(13)°] with the plane of its parent aromatic ring, although it has one O-atom donor involved in one coordination and one hydrogen bond as acceptor. The other carboxyl-ate group does not coordinate and is rotated out of this plane with a torsional twist of 17.27?(20)°. The coordination neutral entity, based on aqua ligands and two cyclic co-ligands seems, at first sight, monomeric. Strongly tight, via one intra-molecular hydrogen bond between aqua and carboxyl-ate O atoms, it brings out a quasi-planar six-membered ring around the Co(II) atom, turning the CoN(3)O(3) coordination octa-hedron into a new building block. The rigidity of this feature associated with several hydrogen-bonded arrays yields an extended structure. In the resulting supra-molecular packing, a binuclear hydrated Co(II) assembly, built up from triple strands driven by different heterosynthons, embodies the synergy of coordination, covalent and hydrogen bonds.

SUBMITTER: Benkanoun A 

PROVIDER: S-EPMC3343867 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other