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Thermal, FTIR and XRD study on some 1:1 molecular compounds of theophylline

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Abstract

Thermal stability and structural features of three newly synthesized 1:1 lattice compounds of theophylline (th) with ethylenediamine carbamate (enCO2), 1,10-phenanthroline (phen), and 5-sulfosalicylic acid (sa-5-SO3H) have been studied in comparison with those of the theophylline compounds with ethanolamine (ea) and salicylic acid (sa). Simultaneous TG-DTA measurements, FTIR spectroscopy and X-ray diffraction have been carried out to get information on the various structural units of these solid inclusions, especially on the actual form (molecule, anion or cation) of theophylline moieties built in. Theophyllinate and theophyllinium ions have been found in the ethanolammonium-theophyllinate (1:1) (1, eaH+⋅th-) and the theophyllinium salicylic acid 5-sulfonate monohydrate (1:1:1), (5, thH+⋅saSO 3 − ⋅H2O), respectively. Whilst the 1:1 complexes with 1,10-phenanthroline (2, th⋅phen), ethylenediamine carbamate (3, th⋅enCO2), and salicylic acid (4, th⋅sa) contain neutral theophylline moieties associated with H-bonds. In compound (3) the zwitterion of N-(2-ammonium-ethyl)carbamate (NH +3 -CH2-CH2-NH-CO 2- ) is present.

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Author notes

  1. K. Jármi

    Present address: Alpharma Kft., H-1107, Budapest, Hungary

Authors and Affiliations

  1. Institute of General and Analytical Chemistry, Budapest University of Technology and Economics, H-1521, Budapest, Hungary

    J. Madarász, K. Jármi, M. Bán & G. Pokol

  2. Institute of Chemistry, Chemical Research Centre, Hungarian Academy of Sciences, P.O. Box 17, H-1525, Budapest, Hungary

    P. Bombicz

  3. Research Group for Technical Analytical Chemistry, Hungarian Academy of Sciences, H-1521, Budapest, Hungary

    S. Gál

Authors
  1. J. Madarász
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  2. P. Bombicz
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  3. K. Jármi
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  4. M. Bán
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  5. G. Pokol
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  6. S. Gál
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Correspondence to J. Madarász.

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Madarász, J., Bombicz, P., Jármi, K. et al. Thermal, FTIR and XRD study on some 1:1 molecular compounds of theophylline. Journal of Thermal Analysis and Calorimetry 69, 281–290 (2002). https://doi.org/10.1023/A:1019966529819

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  • DOI: https://doi.org/10.1023/A:1019966529819

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