Triethylammonium tetraphenylborate dichloromethane solvate

Area of Science:

• Crystal chemistry
• Supramolecular chemistry
• Organic chemistry

Background:

• Understanding non-covalent interactions is crucial in crystal engineering.
• Tetraphenylborate anions are common counterions in various chemical structures.
• Ammonium cations play significant roles in ionic compounds and biological systems.

Purpose of the Study:

• To elucidate the crystal structure of a compound containing triethylammonium and tetraphenylborate ions.
• To identify and characterize non-covalent interactions within the crystal lattice.
• To investigate the role of solvate molecules in crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of interatomic distances and angles was performed to identify hydrogen bonds and pi-stacking interactions.
• Geometric parameters were used to describe the spatial arrangement of the ions and solvate molecule.

Main Results:

• The crystal structure revealed an N-H...pi interaction between the triethylammonium cation and a phenyl ring of the tetraphenylborate anion (H...pi distance: 2.40 Å).
• A near-perpendicular orientation (dihedral angle: 90.4°) was observed between the ammonium group and the aryl moiety.
• A C-H...pi interaction was identified between the disordered dichloromethane solvate and a phenyl ring of the tetraphenylborate anion.

Conclusions:

• The crystal structure is stabilized by significant N-H...pi and C-H...pi interactions.
• These non-covalent interactions dictate the packing arrangement and molecular conformation within the solid state.
• The findings contribute to the understanding of host-guest chemistry and crystal engineering principles.