Aqua(2,2′-diamino-4,4′-bi-1,3-thiazole-κ2N3,N3′)(pyridine-2,6-dicarboxylato-κ3O2,N,O6)zinc tetrahydrate

Yan-Li Wang,Bing-Xin Liu,Guang-Jun Chang

doi:10.1107/s1600536811015145

Yan-Li Wang, Bing-Xin Liu + Show 1 more

Open Access

https://doi.org/10.1107/s1600536811015145

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Abstract

The title compound, [Zn(C7H3NO4)(C6H6N4S2)(H2O)]·4H2O, assumes a distorted octahedral coordination geometry around the Zn2+ cation, formed by a diaminobithiazole (DABT) molecule, a pyridine-2,6-dicarboxylate anion and a water molecule. The pyridine-2,6-dicarboxylate anion chelates to the ZnII atom with a facial configuration. Within the chelating DABT ligand, the two thiazole rings are twisted by a dihedral angle of 14.52 (8)° with respect to each other. O—H⋯O and N—H⋯O hydrogen bonds occur in the crystal structure.

Highlights

DABT ligand, the two thiazole rings are twisted by a dihedral angle of 14.52 (8) with respect to each other
Symmetry codes: (i) x, y−1, z; (ii) −x+1, −y+1, −z+1; (iii) x, y+1, z; (iv) −x+2, −y, −z+1; (v) −x+1, y−1/2, −z+1/2; (vi) −x+2, −y+1, −z+1; (vii) x+1, y, z

Summary

Bruker SMART APEX diffractometer

R factor = 0.052; wR factor = 0.119; data-to-parameter ratio = 12.4. The title compound, [Zn(C7H3NO4)(C6H6N4S2)(H2O)]4H2O, assumes a distorted octahedral coordination geometry around the Zn2+ cation, formed by a diaminobithiazole (DABT). Molecule, a pyridine-2,6-dicarboxylate anion and a water molecule. DABT ligand, the two thiazole rings are twisted by a dihedral angle of 14.52 (8) with respect to each other. N—H O hydrogen bonds occur in the crystal structure

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