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

Abstract

In the title compound, [Zn(C8H3NO6)(C8H7N3)2(H2O)]·0.5H2O, the ZnII 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 π–π 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—H...O and N—H...O hydrogen bonds between the water of crystallization, the associated water molecule and the 3-(2-pyridyl)-1H-pyrazole ligands.