Literature DB >> 24412787

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.

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.
Copyright © 2013 Elsevier B.V. All rights reserved.

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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


  2 in total

1.  Hydrogen-bonded complexes between dimethyl sulfoxide and monoprotic acids: molecular properties and IR spectroscopy.

Authors:  Márcia K D L Belarmino; Vanessa F Cruz; Nathália B D Lima
Journal:  J Mol Model       Date:  2014-10-25       Impact factor: 1.810

2.  Crystal structure, vibrational and optic properties of 2-N-methylamino-3-methylpyridine N-oxide - Its X-ray and spectroscopic studies as well as DFT quantum chemical calculations.

Authors:  I Bryndal; J Lorenc; L Macalik; J Michalski; W Sąsiadek; T Lis; J Hanuza
Journal:  J Mol Struct       Date:  2019-05-24       Impact factor: 3.196

  2 in total

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