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Bis[4-amino-3,5-bis-(pyridin-2-yl)-4H-1,2,4-triazole-?N,N]bis-(benzene-1,2-dicarb-oxy-lic acid-?O)copper(II) bis-(2-carb-oxy-benzoate).

ABSTRACT: In the complex cation of the title salt, [Cu(C(12)H(10)N(6))(2)(C(8)H(6)O(4))(2)](C(8)H(5)O(4))(2), the Cu(II) atom, lying on an inversion center, exhibits a distorted octa-hedral geometry defined by four N atoms from two 4-amino-3,5-bis-(pyridin-2-yl)-4H-1,2,4-triazole ligands in the equatorial plane and two axial O atoms from two benzene-1,2-dicarb-oxy-lic acid ligands. In the crystal, the complex cations and the monodeprotonated 2-carb-oxy-benzoate anions are connected by O-H?O and N-H?O hydrogen bonds, forming a tape along [100]. Adjacent tapes are further linked into a three-dimensional arrangement via ?-? stacking inter-actions between the triazole and benzene rings and between the pyridine and benzene rings [centroid-centroid distances = 3.6734?(14)/3.9430?(16) and 3.8221?(14)?Å]. Intra-molecular N-H?N and O-H?O hydrogen bonds are also observed.

SUBMITTER: Yan Y

PROVIDER: S-EPMC3274868 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

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Bis[4-amino-3,5-bis-(pyridin-2-yl)-4H-1,2,4-triazole-κN,N]bis-(benzene-1,2-dicarb-oxy-lic acid-κO)copper(II) bis-(2-carb-oxy-benzoate).

Yan Yan Y Yu Wen-Jing WJ Chen Jing J

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

In the complex cation of the title salt, [Cu(C(12)H(10)N(6))(2)(C(8)H(6)O(4))(2)](C(8)H(5)O(4))(2), the Cu(II) atom, lying on an inversion center, exhibits a distorted octa-hedral geometry defined by four N atoms from two 4-amino-3,5-bis-(pyridin-2-yl)-4H-1,2,4-triazole ligands in the equatorial plane and two axial O atoms from two benzene-1,2-dicarb-oxy-lic acid ligands. In the crystal, the complex cations and the monodeprotonated 2-carb-oxy-benzoate anions are connected by O-H⋯O and N-H⋯O hydr ...[more]

PMID: 22346815

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