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Aqua-bis-(3,5-dimethyl-1H-pyrazole-?N)(oxydiacetato-?O,O',O'')copper(II) dihydrate.

ABSTRACT: In the title compound, [Cu(C(4)H(4)O(5))(C(5)H(8)N(2))(2)(H(2)O)]·2H(2)O, the Cu(II) cation assumes a distorted octa-hedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water mol-ecule. 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 mol-ecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5?(3)°. Extensive inter-molecular O-H?O and N-H?O hydrogen bonding is present in the crystal structure.

SUBMITTER: Wang YL

PROVIDER: S-EPMC3120427 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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Aqua-bis-(3,5-dimethyl-1H-pyrazole-κN)(oxydiacetato-κO,O',O'')copper(II) dihydrate.

Wang Yan-Li YL Chang Guang-Jun GJ Liu Bing-Xin BX

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

In the title compound, [Cu(C(4)H(4)O(5))(C(5)H(8)N(2))(2)(H(2)O)]·2H(2)O, the Cu(II) cation assumes a distorted octa-hedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water mol-ecule. 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 mol-ecule, the two pyrazole rings are twisted with respec ...[more]

PMID: 21754590

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