Bis(?-3-hydroxy-benzoato)-?O:O;?O:O-bis-[bis-(1H-benzimidazole-?N)(3-hydroxy-benzoato-?O)nickel(II)] bis-(1H-benzimidazole-?N)bis-(3-hy-droxy-benzoato-?O)nickel(II) hexa-hydrate.

ABSTRACT: The title compound, [Ni(2)(C(7)H(5)O(3))(4)(C(7)H(6)N(2))(4)][Ni(C(7)H(5)O(3))(2)(C(7)H(6)N(2))(2)]·6H(2)O, is a mononuclear/dinuclear nickel(II) cocrystal, the two mol-ecular species inter-acting through hydrogen bonds that involve the uncoordinated water mol-ecules. In the mononuclear species, the Ni(II) ion, located on an inversion center, is coordinated by two 1H-benzimidazole (bzim) ligands and two 3-hydroxy-benzoate (hba) anions in a square-planar geometry. In the centrosymmetric dinuclear species, the Ni(II) ion is coordinated by two bzim ligands and three hba anions in a square-pyramidal geometry; of the two independent hba anions, one bridges two Ni(II) ions with both carboxylate and hydroxyl groups whereas the other coordin-ates in a unidentate manner to the Ni(II) ion. The apical Ni-O(hydrox-yl) bond is 0.39?Å longer than the basal Ni-O(carbox-yl) bonds. The face-to-face separation of 3.326?(9)?Å indicates the existence of ?-? stacking between parallel bzim ligands of adjacent dinuclear entities. Extensive N-H?O and O-H?O hydrogen bonds help to stabilize the crystal structure.

SUBMITTER: Shen H 

PROVIDER: S-EPMC2960256 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature