Abstract
In the title compound, [Cu(C4H4O5)(C5H8N2)2(H2O)]·2H2O, the CuII cation assumes a distorted octahedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water molecule. The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu—O bond [2.597 (3) Å], and both chelating rings display envelope conformations. In the molecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5 (3)°. Extensive intermolecular O—H⋯O and N—H⋯O hydrogen bonding is present in the crystal structure.
Highlights
In the title compound, [Cu(C4H4O5)(C5H8N2)2(H2O)]2H2O, the CuII cation assumes a distorted octahedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water molecule
The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu—O bond
The two pyrazole rings are twisted with respect to each other at a dihedral angle of
Summary
R factor = 0.051; wR factor = 0.133; data-to-parameter ratio = 13.9. In the title compound, [Cu(C4H4O5)(C5H8N2)2(H2O)]2H2O, the CuII cation assumes a distorted octahedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water molecule. The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu—O bond [2.597 (3) Å], and both chelating rings display envelope conformations. The two pyrazole rings are twisted with respect to each other at a dihedral angle of. Extensive intermolecular O—H O and N—H O hydrogen bonding is present in the crystal structure
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