Abstract
In the title compound, [Zn(C11H7N6)2(H2O)2], the ZnII cation, located on an inversion center, is N,N′-chelated by two 5-(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazolide anions and is further coordinated by two water molecules in a distorted N4O2 octahedral geometry. In the anionic ligand, the pyrazine and pyridine rings are twisted with respect to the central triazole ring by 5.77 (10) and 11.54 (10)°, respectively. In the crystal, classical O—H⋯N and weak C—H⋯O hydrogen bonds and π–π stacking interactions between aromatic rings [the centroid–centroid distances between triazole and pyrazine rings, and between triazole and pyridine rings are 3.623 (2) and 3.852 (2) Å, respectively] connect the molecules into a three-dimensional supramolecular architecture.
Highlights
In the title compound, [Zn(C11H7N6)2(H2O)2], the Zn cation, located on an inversion center, is N,N0 -chelated by two 5(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazolide anions and is further coordinated by two water molecules in a distorted
The pyrazine and pyridine rings are twisted with respect to the central triazole ring by 5.77 (10) and 11.54 (10), respectively
Symmetry codes: (ii) x+1, y+1, z; (iii) −x, −y+1, −z+1; (iv) x, y+1, z
Summary
College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002, People’s Republic of China. R factor = 0.037; wR factor = 0.110; data-to-parameter ratio = 14.2. In the title compound, [Zn(C11H7N6)2(H2O)2], the Zn cation, located on an inversion center, is N,N0 -chelated by two 5(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazolide anions and is further coordinated by two water molecules in a distorted. The pyrazine and pyridine rings are twisted with respect to the central triazole ring by 5.77 (10) and 11.54 (10) , respectively. Classical O—H N and weak C—H O hydrogen bonds and – stacking interactions between aromatic rings [the centroid–centroid distances between triazole and pyrazine rings, and between triazole and pyridine rings are. 3.623 (2) and 3.852 (2) Å, respectively] connect the molecules into a three-dimensional supramolecular architecture
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