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Crystal structure of poly[?2-aqua-aqua-(?2-4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olato)hemi-?4-oxalato-barium(II)].

ABSTRACT: In the title coordination polymer, [Ba(C5HN2O6)(C2O4)0.5(H2O)2] n , the tenfold coordination of the Ba centre consists of four O atoms from the two 4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olate (L) anions, three O atoms of two oxalate anions and three water mol-ecules. The Ba-O bond lengths fall in the range 2.698?(3)-2.978?(3)?Å. The L ligand chelates two Ba atoms related by a screw axis, leading to formation of fused five- and six-membered chelate rings. Due to the bridging function of the ligands and water mol-ecules, the complex monomers are connected into polymeric two-dimensional layers parallel to the bc plane. Inter-molecular O-H?O hydrogen bonds link these layers into a three-dimensional supra-molecular framework.

SUBMITTER: Alabada R

PROVIDER: S-EPMC4420117 | biostudies-other | 2015 May

REPOSITORIES: biostudies-other

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Crystal structure of poly[μ2-aqua-aqua-(μ2-4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olato)hemi-μ4-oxalato-barium(II)].

Alabada Rusul R Kovalchukova Olga O Polyakova Irina I Strashnova Svetlana S Sergienko Vladimir V

Acta crystallographica. Section E, Crystallographic communications 20150409 Pt 5

In the title coordination polymer, [Ba(C5HN2O6)(C2O4)0.5(H2O)2] n , the tenfold coordination of the Ba centre consists of four O atoms from the two 4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olate (L) anions, three O atoms of two oxalate anions and three water mol-ecules. The Ba-O bond lengths fall in the range 2.698 (3)-2.978 (3) Å. The L ligand chelates two Ba atoms related by a screw axis, leading to formation of fused five- and six-membered chelate rings. Due to the bridging function ...[more]

PMID: 25995855

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