Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 11 (November 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m602-m603    [ doi:10.1107/S1600536813027761 ]

Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-[kappa]2N3,O4]barium tetrahydrate

N. Dinh Do, O. Kovalchukova, A. Stash and S. Strashnova

Abstract: In the title compound, [Ba(C7H5N2O5)2(H2O)6]·4H2O, the Ba2+ cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­n­ide oxo O atoms [Ba-O = 2.8715 (17) Å], two hy­droxy­imino N atoms [Ba-N = 3.036 (2) Å], and six water mol­ecules [Ba-O = 2.847 (2), 2.848 (2), and 2.880 (2) Å]. The 3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hy­droxy­imino group and an O atom of the neighboring oxo group. Two lattice water mol­ecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water mol­ecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed.

CCDC reference: 965674

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