Hexaaquazinc(II) dinitrate bis[5-(pyridinium-3-yl)tetrazol-1-ide]

Abstract

Hexaaquazinc(II) dinitrate 5-(pyridinium-3-yl)tetrazol-1-ide, [Zn(H2O)6](NO3)2·2C6H5N5, crystallizes in the space group P\overline{1}. The asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetrazol-1-ide molecule, one NO3− anion and one half of a [Zn(H2O)6]2+ cation (\overline{1} symmetry). The pyridinium and tetrazolide rings in the zwitterion are nearly coplanar, with a dihedral angle of 5.4 (2)°. Several O—H...N and N—H...O hydrogen-bonding interactions exist between the [Zn(H2O)6]2+ cation and the N atoms of the tetrazolide ring, and between the nitrate anions and the N—H groups of the pyridinium ring, respectively, giving rise to a three-dimensional network. The 5-(pyridinium-3-yl)tetrazol-1-ide molecules show parallel-displaced π–π stacking interactions; the centroid–centroid distance between adjacent tetrazolide rings is 3.6298 (6) Å and that between the pyridinium and tetrazolide rings is 3.6120 (5) Å.

Keywords

• crystal stryucture
• pyridin-3-yltetrazole
• hexaaquazinc(II) complex
• π–π stacking
• hydrogen-bonding