J. Lorenc, I. Bryndal, M. Marchewka
May 1, 2008
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Journal
Journal of Raman Spectroscopy
Abstract
A new organic–organic salt, 2-aminopyridinium-4-hydroxybenzenosulfonate, has been synthesised and characterised by means of FT-IR and FT-Raman spectroscopies, differential scanning calorimetry (DSC) and single crystal X-ray crystallography. Its vibrational spectra have been discussed on the basis of quantum chemical density functional theory (DFT) calculations using the B3LYP/6-31G(d,p) approach. The role of the intermolecular interactions in this crystal is analysed. The N–H ··· O interactions between the hydrogen atoms of the pyridinium cation and oxygen atoms of hydroxybenzenosulfonate anion built the supramolecular arrangement in three-dimensional space. Copyright 2008 John Wiley & Sons, Ltd.