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The role of hydrogen bonds in the crystals of 2-amino-4-methyl-5-nitropyridinium trifluoroacetate monohydrate and 4-hydroxybenzenesulfonate – X-ray and spectroscopic studies.
Autorzy
Rok wydania
2014
Czasopismo
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
Numer woluminu
123
Strony
342-351
DOI
10.1016/j.saa.2013.12.018
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
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.
Słowa kluczowe
2-Amino-4-methyl-5-nitropyridinium trifluoroacetate monohydrate, 2-Amino-4-methyl-5-nitropyridinium 4-hydroxybenzenesulfonate, Hydrogen bonds, IR and Raman spectra, X-ray study, Quantum chemical calculations
Adres publiczny
http://dx.doi.org/10.1016/j.saa.2013.12.018
Strona internetowa wydawcy
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