Tris(methylammonium thiocyanurate) monohydrate.

Area of Science:

• Crystal Chemistry
• Supramolecular Chemistry
• Materials Science

Background:

• Understanding the self-assembly of organic anions and cations is crucial for designing novel materials.
• Hydrogen bonding plays a pivotal role in directing the formation of extended structures in the solid state.

Purpose of the Study:

• To elucidate the crystal structure and hydrogen bonding patterns of the title compound.
• To investigate the supramolecular assembly of trimethyl-ammonium cations, trithio-cyanurate anions, and water molecules.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding interactions (N-H⋯S, O-H⋯S, N-H⋯N) was performed to understand the structural organization.

Main Results:

• Two independent trithio-cyanurate anions form a planar hydrogen-bonded ribbon via N-H⋯S interactions.
• A third anion and a water molecule form a parallel chain linked by N-H⋯S and O-H⋯S contacts.
• These ribbons and chains are interconnected by O-H⋯S hydrogen bonds, creating sheets, with cations situated between sheets via N-H⋯S and N-H⋯N contacts.

Conclusions:

• The study reveals a complex 3D supramolecular architecture driven by multiple hydrogen bonding interactions.
• The arrangement highlights the interplay between anions, cations, and solvent molecules in crystal engineering.
• This detailed structural analysis provides insights into the formation of extended networks in crystalline organic salts.