Volume 124, Issue 2 pp. 111-116

Structural analysis of 5-[thiazol-2-yldiazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione in both solid state and solution

Zeynel Seferoğlu

Zeynel Seferoğlu

Department of Chemistry, Gazi University, 06500 Teknikokullar, Ankara, Turkey
Email: [email protected]

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Tuncer Hökelek

Tuncer Hökelek

Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey

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Ertan Şahin

Ertan Şahin

Department of Chemistry, Atatürk University, 22240 Erzurum, Turkey

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Abstract

The synthesis, crystal structure analysis and characterisation of 5-[thiazol-2-yldiazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione are reported. This dye was characterised by ultraviolet–visible, Fourier Transform–infrared, proton nuclear magnetic resonance spectroscopy, mass spectrometry techniques and elemental analysis. Both the effects of pH value and solvent polarity upon the absorption properties of the dye have been presented. In addition, the structure of the dye has been determined by a single crystal X-ray diffraction method. The dye was triclinic in P-1 with a = 8.2419(2) Å, b = 10.6225(3) Å, c = 12.5106(3) Å, α = 90.543(1)°, β = 102.79(3)°, γ = 103.858(1)°, V = 1035.26(5) Å3, Dcalc = 1.634 g/cm3 and Z = 2. The asymmetric unit contains two crystallographically independent C7H5N5O3S molecules, alongside one half of the solvent C2H6O2 molecule. In the crystal structure, intramolecular N–H…N and intermolecular N–H…N, N–H…O, O–H…N, C–H…O and C–H…N hydrogen bonds link the molecules to form a supramolecular network in which they seem to be effective in the stabilisation of the structure.

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