Acta Cryst. (2011). E67, m105  [ doi:10.1107/S1600536810051949 ]

Aqua(4-nitrophthalato)bis[2-(1H-pyrazol-3-yl)pyridine]zinc(II) hemihydrate

L. Ni, J.-L. Zhao and H. Wei

Abstract: In the title compound, [Zn(C₈H₃NO₆)(C₈H₇N₃)₂(H₂O)]·0.5H₂O, the Zn^II atom shows a distorted octahedral ZnN₄O₂ coordination environment and is bonded to two 3-(2-pyridyl)-1H-pyrazole ligands via the N atoms, one monodentate 4-nitrophthalate ligand and one associated water molecule. Additionally, one water of crystallization, with a site-occupation factor of 0.5, is present. The two 3-(2-pyridyl)-1H-pyrazole ligands are planar [r.m.s. deviations = 0.03 (1) and 0.35 (1) Å] and the dihedral angle between the two planar 3-(2-pyridyl)-1H-pyrazole ligands is 67.31 (4)°. Intermolecular - stacking interactions between 3-(2-pyridyl)-1H-pyrazole ligands with a face-to-face separation of 3.64 (1) Å are observed. Moreover, the crystal structure is stabilized by O-HO and N-HO hydrogen bonds between the water of crystallization, the associated water molecule and the 3-(2-pyridyl)-1H-pyrazole ligands.

Online 24 December 2010

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