Vibrational, XRD and 13C NMR studies of DL-phenylglycinium methanesulfonate crystal

• New compound containing cationic form of DL-phenylglycine was obtained.
• Detailed analysis of the XRD, IR, Raman and NMR data of the crystal is reported.
• Hydrogen bonds network forms a layer structure of the crystal.
• Solid state NMR data are consistent with XRD and vibrational results.

A new crystal formed by DL-phenylglycine and methanesulfonic acid (PGLYMS) was obtained and studied by X-ray diffraction, IR and Raman spectroscopy, solid state NMR and DSC methods. Additionally, theoretical computations for the phenylglycine cation were carried out (DFT/B3LYP/aug-cc-pVDZ). Our results show that PGLYMS does not exhibit any phase transitions and crystallizes in the P21/c space group of monoclinic system (Z = 4). Detailed analysis of its structure and its IR, Raman and NMR spectra is presented.

Figure optionsDownload as PowerPoint slide