Crystal structure and spectroscopic elucidation of 3-phenylpyridinium hydrogensquarate.

The novel 3-phenylpyridinium hydrogensquarate (1) has been synthesized and its structure and properties are elucidated spectroscopically, thermally and structurally, using single crystal X-ray diffraction, linear-polarized solid-state IR-spectroscopy, UV-spectroscopy, TGA, DSC, DTA and ESI MS. Quantum chemical calculations were used to obtain the electronic structure, vibrational data and electronic spectrum. 3-Phenylpyridinium hydrogensquarate, crystallizes in the space group P−1 and the ions in the unit cell are joined into layers by intermolecular NH⋯O＝C(Sq) bonds with bond lengths of 2.625 and 2.626 Å, respectively. Hydrogentartarates form dimers by strong O＝COH⋯OCO interactions (2.499 Å). [Copyright &y& Elsevier]