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Diaquabis-(thio-cyanato-?N)bis[6-(4H-1,2,4-triazol-4-yl-?N(1))pyridin-2-amine]-cadmium.

ABSTRACT: In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O(2) octa-hedral geometry. The dihedral angle between the triazole and pyridine rings is 23.15?(12)°. In the crystal, mol-ecules are linked by N-H?N and O-H?S hydrogen bonds. Offset ?-? stacking between parallel pyridine rings of adjacent mol-ecules is also observed, the centroid-centroid distance being 3.6319?(14)?Å.

SUBMITTER: Liu YY 

PROVIDER: S-EPMC3414147 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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Diaquabis-(thio-cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN(1))pyridin-2-amine]-cadmium.

Liu Yuan-Yuan YY   Yang Pan P   Ding Bin B  

Acta crystallographica. Section E, Structure reports online 20120721 Pt 8

In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O(2) octa-hedral geometry. The dihedral angle between the triazole and pyridine rings is 23.15 (12)°. In the crystal, mol-ecules are linked by N-H⋯N and O-H⋯S hydrogen bonds. Offset π-π stacking betwee  ...[more]

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