Synthesis and characterization of 5-amino-1,3-di-tert-butyl-2H-tetrazol-1-ium bis[di-μ-chlorido-bis[dichloridocuprate(II)]]

•Chlorocuprate with 5-amino-1,3-di-tert-butyltetrazolium cation was synthesized.•Tetrazolium chlorocuprate is composed of separate cations and Cu2Cl62− anions linked by H-bonds.•Cu2Cl62− anions possess slightly twisted geometry.•Tetrazolium chlorocuprate shows a weak antiferromagnetic coupling between Cu2+ ions.

The title compound was synthesized by interaction of 1,3-di-tert-butyltetrazol-1-ium-5-aminide with hydrochloric acid and copper(II) chloride. According to single crystal X-ray analysis, the salt is composed of 5-amino-1,3-di-tert-butyl-2H-tetrazol-1-ium cations and dibridged Cu2Cl62− anions. The anions possess slightly twisted geometry with a dihedral angle of 11.24(5)° between the bridging Cu2Cl2 plane and each of two terminate CuCl2 planes. Intermolecular hydrogen bonds N–Hamino⋯Nring between two neighboring cations form centrosymmetric cationic dimers, showing R22(8) hydrogen-bonded rings. The dimers are linked to Cu2Cl62− anions via the hydrogen bonds N–Hamino⋯Cl to give polymeric chains extending along the [0 1 1] direction. The compound was found to show a weak antiferromagnetic coupling between the paramagnetic copper(II) ions.

Graphical abstractTetrazolium chlorocuprate posesses slightly twisted Cu2Cl62− anion with weak antiferromagnetic coupling between the paramagnetic copper(II) ions.Figure optionsDownload full-size imageDownload as PowerPoint slide