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Cytosinium hydrogen selenite.

Radhwane Takouachet1, Rim Benali-Cherif1, Nourredine Benali-Cherif1

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The crystal structure reveals how cytosinium cations and hydrogenselenite anions form a 3D framework through various hydrogen bonds. This study details the specific interactions within this novel salt compound.

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Area of Science:

  • Crystallography
  • Crystal Engineering
  • Supramolecular Chemistry

Background:

  • Cytosine derivatives are crucial in biological systems and materials science.
  • Hydrogen bonding plays a key role in the self-assembly of crystalline structures.
  • Selenite anions offer unique coordination properties for crystal engineering.

Purpose of the Study:

  • To elucidate the crystal structure of the title salt, 6-amino-2-methyl-idene-2,3-di-hydro-pyrim-idin-1-ium hydrogen selenite.
  • To investigate the hydrogen bonding network responsible for the formation of the three-dimensional framework.
  • To understand the supramolecular assembly driven by the interactions between cytosinium cations and hydrogenselenite anions.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
  • Analysis of intermolecular interactions, including hydrogen bonds (N-H⋯O, N-H⋯Se, O-H⋯O, O-H⋯Se, C-H⋯O), was performed.
  • Structural characterization of the synthesized salt.

Main Results:

  • The crystal structure of C4H6N3O(+)·HSeO3 (-) was successfully determined.
  • A complex three-dimensional framework is formed through extensive hydrogen bonding.
  • Specific hydrogen bond donors and acceptors (N-H, O-H, C-H from cation; O, Se from anion) mediate the crystal packing.

Conclusions:

  • The study provides detailed insights into the crystal structure and hydrogen bonding of a novel cytosinium hydrogenselenite salt.
  • The observed hydrogen bonding network dictates the formation of a robust 3D supramolecular architecture.
  • This research contributes to the understanding of crystal engineering principles involving organic cations and inorganic anions.