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Potassium morpholine-4-carbodithio-ate monohydrate.

Ana C Mafud¹, Maria Teresa Prado Gambardella

¹Instituto de Física de São Carlos, Universidade de São Paulo, Av. Trabalhador Sãocarlense, 400, Caixa Postal 369, 13566-590 São Carlos, SP, Brazil.

Acta Crystallographica. Section E, Structure Reports Online

|August 21, 2012

Summary

This study details the crystal structure of a potassium morpholine-4-carbodithioate hydrate compound. Researchers found a chair conformation in the morpholine ring and a unique coordination geometry for the potassium ion.

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Area of Science:

Crystallography
Inorganic Chemistry
Materials Science

Background:

Understanding the structural properties of ionic compounds is crucial for developing new materials.
Morpholine derivatives are widely used in various chemical applications.
Investigating hydrogen bonding interactions provides insights into crystal packing and stability.

Purpose of the Study:

To determine the crystal structure of the ionic compound K(+)·C(5)H(8)NOS(2) (-)·H(2)O.
To analyze the conformation of the morpholine ring and the coordination environment of the potassium cation.
To elucidate the hydrogen bonding network and the resulting supramolecular architecture.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of bond lengths, bond angles, and intermolecular interactions was performed.
Crystal structure visualization and analysis software were utilized.

Main Results:

The morpholine ring of the morpholine-4-carbodithioate anion adopts a chair conformation.
The potassium cation exhibits a bipyramidal reversed coordination geometry, interacting with four sulfur and four oxygen atoms.
The crystal structure is characterized by two-dimensional networks formed by the ionic components and water molecules.
These layers are interconnected by O-H⋯S hydrogen bonds, leading to a three-dimensional supramolecular structure.

Conclusions:

The study successfully characterized the crystal structure of K(+)·C(5)H(8)NOS(2) (-)·H(2)O.
The observed chair conformation and coordination geometry provide valuable structural data for related compounds.
The intricate hydrogen bonding network highlights the importance of non-covalent interactions in stabilizing the 3D crystal lattice.