Ammonium 4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ide
2011

Crystal Structure of Ammonium 4,6-Dioxo-2-Sulfanylidene-1,3-Diazinan-5-Ide

publication Evidence: moderate

Author Information

Author(s): Richard Betz, Thomas Gerber

Primary Institution: Nelson Mandela Metropolitan University

Hypothesis

To gather structural information to allow for the tailored synthesis of metal-organic frameworks based on thiobarbituric acid.

Conclusion

The crystal structure of the ammonium salt of thiobarbituric acid reveals a three-dimensional network formed by hydrogen bonds.

Supporting Evidence

  • The crystal structure is dominated by hydrogen bonds.
  • The thiobarbituric acid anion is present in its diketonic tautomeric form.
  • The unit cell comprises two half-occupied ammonium cations.

Takeaway

The study looks at how a specific chemical compound is structured, which helps scientists create new materials with special properties.

Methodology

X-ray diffraction was used to determine the crystal structure of the compound.

Digital Object Identifier (DOI)

10.1107/S1600536811016722

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