| Literature DB >> 24412787 |
I Bryndal1, M Marchewka2, M Wandas3, W Sąsiadek3, J Lorenc3, T Lis4, L Dymińska3, E Kucharska3, J Hanuza5.
Abstract
Two new organic-organic salts, 2-amino-4-methyl-5-nitropyridinium trifluoroacetate monohydrate (AMNP-TFA), and 2-amino-4-methyl-5-nitropyridinium 4-hydroxybenzenesulfonate (AMNP-HBS), were obtained and characterized by means of FT-IR, FT-Raman and single crystal X-ray crystallography. In the former crystal, the cations, anions and water molecules are linked into layers by three types of hydrogen bonds, NPH⋯O, NAH⋯O and OH⋯O. These layers are connected by weaker CH⋯O hydrogen bonds. In the latter crystal, the cations and anions form one-dimensional structure through a number of hydrogen-bonding interactions involving the OH, NH(+) and NH2 groups as donors. In this case the NPH⋯O and NAH⋯O hydrogen bonds are formed. The combination of interactions between cations and anions results in the formation of columns. Additionally, there are π-π stacking interactions between the columns. The obtained X-ray structural data are related to the vibrational spectra of the studied crystals.Entities:
Keywords: 2-Amino-4-methyl-5-nitropyridinium 4-hydroxybenzenesulfonate; 2-Amino-4-methyl-5-nitropyridinium trifluoroacetate monohydrate; Hydrogen bonds; IR and Raman spectra; Quantum chemical calculations; X-ray study
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Year: 2013 PMID: 24412787 DOI: 10.1016/j.saa.2013.12.018
Source DB: PubMed Journal: Spectrochim Acta A Mol Biomol Spectrosc ISSN: 1386-1425 Impact factor: 4.098