Ammonium 4-meth-oxy-benzene-sulfonate.

Area of Science:

• Crystallography
• Materials Science
• Supramolecular Chemistry

Background:

• Understanding molecular packing is crucial for predicting material properties.
• Sulfonate salts and aromatic compounds exhibit diverse supramolecular architectures.

Purpose of the Study:

• To elucidate the crystal structure and packing of ammonium p-methoxybenzenesulfonate.
• To analyze the interplay between hydrophilic and hydrophobic components in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis.
• Analysis of intermolecular interactions, including hydrogen bonding and pi-pi stacking.

Main Results:

• The molecular structure is unremarkable, with expected bond lengths and angles.
• A distinct segregation of hydrophilic (sulfonate, ammonium) and hydrophobic (methoxybenzene) groups is observed.
• Hydrophilic groups form a 2D hydrogen-bonded network parallel to the (100) plane.
• Hydrophobic groups act as spacers, creating an inter-planar separation of approximately 10.2 Å.
• Benzene rings exhibit a zigzag stacking pattern, preventing parallel alignment and pi-pi interactions.

Conclusions:

• The crystal structure is dominated by the packing arrangement rather than intrinsic molecular features.
• The observed segregation and hydrogen-bonding network dictate the material's supramolecular organization.
• The absence of pi-pi interactions is a key characteristic of this specific crystal packing.