Catena-Poly[[(diaqua-calcium)-bis-(?-2-fluorobenzoato)-1':1?O:O,O';1:1''?O,O':O] 2,2'-bipyridine hemi-solvate].

ABSTRACT: In the title compound, {[Ca(C(7)H(4)FO(2))(2)(H(2)O)(2)]·0.5C(10)H(8)N(2)}(n), the Ca(II) atom is coordinated by eigth O atoms from four 2-fluoro-benzoate ligands and two water mol-ecules, resulting in a distorted CaO(8) square-anti-prismatic coordination environment. The 2-fluoro-benzoate ligand bridges two symmetry-related Ca(II) atoms, giving rise to a chain structure extending along [100]. The distances between the Ca atom and its two symmetry-related counterparts are 4.054?(2) and 4.106?(2)?Å. The polymeric chains are connected by classical O-H?N hydrogen bonds into a layer structure parallel to (010). The layers are connected by non-classical C-H?F hydrogen bonds into a three-dimensional supra-molecular structure. O-H?O and C-H?O inter-actions also occur. The uncoordinated 2,2'-bipyridine mol-ecule is located on a centre of symmetry at the mid-point of the bond between the two heterocycles. One of the two benzene rings is disordered over two sites with occupancy factors of 0.60 and 0.40.

SUBMITTER: Zhang BS 

PROVIDER: S-EPMC3254322 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature