title: Beta-alanine-hydrochloride (2:1) crystal: structure, 13C NMR and vibrational properties, protonation character.
abstract: The crystal structure of beta-alanine-hydrochloride (2:1) complex (2A-HCl) has been determined by X-ray diffraction method at 298 and 100 K as monoclinic, space group C2/c, Z=4. The crystal comprises chloride anions and protonated beta-alanine dimers: two beta-alanine zwitterions are joined by strong, symmetric (Ci) hydrogen bond with the O...O distance of 2.473 A at room temperature. Powder FT-IR and FT-Raman as well as solid state 13C NMR spectra provide insights into the solid structure of this complex, character of its hydrogen bonds and the beta-alanine protonation.
authors.affiliation: Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383 Wrocław, Poland.
authors.forename: D
authors.initials: D
authors.lastname: Godzisz
authors.forename: M
authors.initials: M
authors.lastname: Ilczyszyn
authors.forename: Z
authors.initials: Z
authors.lastname: Ciunik
mesh_terms: D000838:Anions; D002244:Carbon / Q000737:chemistry; D018360:Crystallography, X-Ray; D019281:Dimerization; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D011522:Protons; D013053:Spectrophotometry; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman / Q000379:methods; D013696:Temperature; D014961:X-Ray Diffraction; D015091:beta-Alanine / Q000032:analysis / Q000737:chemistry*
chemical_list: D000838:Anions; D011522:Protons; D015091:beta-Alanine; D002244:Carbon