Sodium piperidine-1-carbodithio-ate dihydrate

Area of Science:

• Crystal chemistry
• Coordination chemistry
• Supramolecular chemistry

Background:

• Dithio-carbamates are versatile ligands with applications in various chemical fields.
• Understanding the crystal structure of metal complexes provides insights into their properties and potential applications.
• Sodium compounds play crucial roles in biological and industrial processes.

Purpose of the Study:

• To elucidate the crystal structure of the sodium piperidine-dithio-carbamate complex.
• To investigate the coordination environment of the sodium cation.
• To analyze the intermolecular interactions, including hydrogen bonding and network formation.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• The asymmetric unit was analyzed, revealing the presence of a sodium cation, a piperidine-dithio-carbamate anion, and lattice water molecules.
• Positional disorder of the piperidine ring atoms was identified and modeled.

Main Results:

• The crystal structure consists of sodium cations, piperidine-dithio-carbamate anions with positional disorder, and two lattice water molecules.
• The sodium cation exhibits a coordination number of 6.
• An infinite two-dimensional network is formed through the linkage of sodium cations and the dithio-carbamate anions, extending parallel to the (001) plane.
• O-H⋯S hydrogen bonds involving lattice water molecules contribute to the stabilization of the crystal structure.

Conclusions:

• The crystal structure of sodium piperidine-dithio-carbamate dihydrate has been successfully determined.
• The compound forms a stable two-dimensional network stabilized by coordination and hydrogen bonding.
• The observed positional disorder in the piperidine ring provides insights into the conformational flexibility of the anion.