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Tetra-aqua-bis-[4-(4H-1,2,4-triazol-4-yl)benzoato-?N]copper(II) dihydrate.

ABSTRACT: In the title compound, [Cu(C(9)H(6)N(3)O(2))(2)(H(2)O)(4)]·2H(2)O, the Cu(II) atom lies on an inversion center and is six-coordinated by two N atoms from two 4-(1,2,4-triazol-4-yl)benzoate ligands and four water mol-ecules in a distorted octa-hedral geometry. In the crystal, inter-molecular O-H?O hydrogen bonds lead to a three-dimensional supra-molecular network. Intra-molecular O-H?N hydrogen bonds and ?-? inter-actions between the benzene rings and between the benzene and triazole rings [centroid-centroid distances = 3.657?(1) and 3.752?(1)?Å] are observed.

SUBMITTER: Xu S

PROVIDER: S-EPMC3120514 | biostudies-other | 2011 Jun

REPOSITORIES: biostudies-other

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Tetra-aqua-bis-[4-(4H-1,2,4-triazol-4-yl)benzoato-κN]copper(II) dihydrate.

Xu Shuzhi S Shao Wenxin W Yu Miao M Gong Guihua G

Acta crystallographica. Section E, Structure reports online 20110520 Pt 6

In the title compound, [Cu(C(9)H(6)N(3)O(2))(2)(H(2)O)(4)]·2H(2)O, the Cu(II) atom lies on an inversion center and is six-coordinated by two N atoms from two 4-(1,2,4-triazol-4-yl)benzoate ligands and four water mol-ecules in a distorted octa-hedral geometry. In the crystal, inter-molecular O-H⋯O hydrogen bonds lead to a three-dimensional supra-molecular network. Intra-molecular O-H⋯N hydrogen bonds and π-π inter-actions between the benzene rings and between the benzene and triazole rings [centr ...[more]

PMID: 21754660

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