Abstract
The title compound, [Ni(C4H5N4O2)2(H2O)2]·2H2O, represents the first transition metal complex of the novel chelating triazole ligand, 2-(5-amino-1H-1,2,4-triazol-3-yl)acetic acid (ATAA), to be structurally characterized. In the mol-ecule of the title complex, the nickel(II) cation is located on an inversion centre and is coordinated by two water mol-ecules in axial positions and two O and two N atoms from two trans-oriented chelating anions of the deprotonated ATAA ligand, forming a slightly distorted octa-hedron. The trans angles of the octa-hedron are all 180° due to the inversion symmetry of the mol-ecule. The cis-angles are in the range 87.25 (8)-92.75 (8)°. The six-membered chelate ring adopts a slightly twisted boat conformation with puckering parameters Q = 0.542 (2) Å, Θ = 88.5 (2) and ϕ = 15.4 (3)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O hydrogen bonds between the amino group and the chelating carboxyl-ate O atom of two trans-oriented ligands. In the crystal, the complex mol-ecules and lattice water mol-ecules are linked into a three-dimensional framework by an extensive network of N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds.
Highlights
The title compound, [Ni(C4H5N4O2)2(H2O)2]2H2O, represents the first transition metal complex of the novel chelating triazole ligand, 2-(5-amino1H-1,2,4-triazol-3-yl)acetic acid (ATAA), to be structurally characterized
The molecular conformation is stabilized by intramolecular N—H O hydrogen bonds between the amino group and the chelating carboxylate O atom of two trans-oriented ligands
C-amino-1,2,4-triazoles are employed as polydentate ligands for the synthesis of coordination compounds with various metals that demonstrate useful spectroscopic, magnetic, biological and catalytic properties (Aromıet al., 2011; Liu et al, 2011; Gao et al, 2013; Hernández-Gil et al, 2014)
Summary
C-amino-1,2,4-triazoles are employed as polydentate ligands for the synthesis of coordination compounds with various metals that demonstrate useful spectroscopic, magnetic, biological and catalytic properties (Aromıet al., 2011; Liu et al, 2011; Gao et al, 2013; Hernández-Gil et al, 2014). 5-Amino-1H-1,2,4-triazole-3-carboxylic acid (ATCA, Fig. 1) was found to be a promising chelating ligand for which complexes with various metal cations have been reported recently (Chen et al, 2011; Sun et al, 2011; Wang et al, 2011; Hernández-Gil et al, 2012; Tseng et al, 2014). In these complexes, metal cations are Figure 1. We report the synthesis and crystal structure of an NiII complex of ATAA, the title compound [Ni(C4H5N4O2)2(H2O)2]2H2O (1)
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