Bis(di-cyclo-hexyl-ammonium) sulfate dihydrate

Area of Science:

• Crystallography
• Solid-state chemistry
• Materials science

Background:

• Understanding the structural properties of salts is crucial for predicting their behavior in various applications.
• Dihydrate salts, containing two water molecules per formula unit, exhibit unique packing and bonding characteristics.
• Symmetry elements in crystal structures dictate molecular arrangements and intermolecular interactions.

Purpose of the Study:

• To elucidate the crystal structure of the title dihydrate salt, 2C12H24N(+)·SO4(2-)·2H2O.
• To analyze the symmetry properties of the constituent cation and anion.
• To investigate the hydrogen bonding network responsible for crystal lattice stabilization.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional atomic arrangement.
• Symmetry analysis was performed on the cation and anion using crystallographic software.
• Hydrogen bond analysis was conducted to identify and characterize N-H⋯O and O-H⋯O interactions.

Main Results:

• The crystal structure of the dihydrate salt was successfully determined.
• The organic cation, C12H24N(+), exhibits twofold rotational symmetry.
• The sulfate anion, SO4(2-), displays fourfold roto-inversion symmetry.
• A three-dimensional network is formed through ammonium-sulfate N-H⋯O and water-sulfate O-H⋯O hydrogen bonds.

Conclusions:

• The crystal structure of the dihydrate salt is characterized by specific symmetry elements in its cation and anion.
• Hydrogen bonding plays a critical role in assembling the crystal lattice into a stable three-dimensional network.
• This structural understanding provides insights into the solid-state behavior of similar organic-inorganic hybrid salts.