Guanidinium bromide-18-crown-6 (2/1)

Area of Science:

• Supramolecular Chemistry
• Crystal Engineering
• Organic Chemistry

Background:

• Crown ethers are macrocyclic polyethers known for their ability to selectively bind cations.
• Guanidinium cations are highly basic and can participate in extensive hydrogen bonding networks.
• Understanding the self-assembly of molecular components is crucial for designing novel materials.

Purpose of the Study:

• To elucidate the crystal structure of the 2CH(6)N(3)⁺·2Br⁻·C₁₂H₂₄O₆ compound.
• To investigate the role of hydrogen bonding in the formation of a three-dimensional network.
• To analyze the structural relationship between the 18-crown-6 molecule, guanidinium cation, and bromide anion.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Hydrogen bonding interactions (N-H⋯O and N-H⋯Br) were identified and analyzed.
• The positional symmetry of the components within the crystal lattice was examined.

Main Results:

• The 18-crown-6 molecule was found to lie on an inversion center within the crystal structure.
• Guanidinium cations and bromide anions occupied general positions in the crystal lattice.
• Extensive hydrogen bonding networks were observed, linking the crown ether, cations, and anions.

Conclusions:

• The compound forms a robust three-dimensional supramolecular network stabilized by hydrogen bonds.
• The crystal structure reveals a specific arrangement of 18-crown-6, guanidinium, and bromide ions.
• This structural insight contributes to the understanding of host-guest chemistry and crystal engineering principles.