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Di-aqua-bis-[5-(pyrazin-2-yl-?N (1))-3-(pyridin-3-yl)-1,2,4-triazolido-?N (1)]zinc.

ABSTRACT: In the title compound, [Zn(C11H7N6)2(H2O)2], the Zn(II) 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 mol-ecules in a distorted N4O2 octa-hedral 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 ?-? stacking inter-actions 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 mol-ecules into a three-dimensional supra-molecular architecture.

SUBMITTER: Wang YN

PROVIDER: S-EPMC3998535 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Di-aqua-bis-[5-(pyrazin-2-yl-κN (1))-3-(pyridin-3-yl)-1,2,4-triazolido-κN (1)]zinc.

Wang Ye-Nan YN Dong Wen-Wen WW

Acta crystallographica. Section E, Structure reports online 20140305 Pt 4

In the title compound, [Zn(C11H7N6)2(H2O)2], the Zn(II) 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 mol-ecules in a distorted N4O2 octa-hedral 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 stacki ...[more]

PMID: 24826085

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