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Acta Cryst. (2012). E68, m55-m56  [ doi:10.1107/S1600536811053311 ]

catena-Poly[[(diaquacalcium)-bis([mu]-2-fluorobenzoato)-1':1[kappa]3O:O,O';1:1''[kappa]3O,O':O] 2,2'-bipyridine hemisolvate]

B.-S. Zhang, J.-L. Lin, X.-F. Jin, R. Huang and L.-L. Luo

Abstract: In the title compound, {[Ca(C7H4FO2)2(H2O)2]·0.5C10H8N2}n, the CaII atom is coordinated by eigth O atoms from four 2-fluorobenzoate ligands and two water molecules, resulting in a distorted CaO8 square-antiprismatic coordination environment. The 2-fluorobenzoate ligand bridges two symmetry-related CaII 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 supramolecular structure. O-H...O and C-H...O interactions also occur. The uncoordinated 2,2'-bipyridine molecule 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.

Online 17 December 2011


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