4-Nitro-anilinium p-toluene-sulfonate

Area of Science:

• Crystallography
• Solid-state chemistry

Background:

• Understanding molecular interactions is crucial for materials science.
• Crystal structure analysis provides insights into intermolecular forces.

Purpose of the Study:

• To elucidate the crystal structure of the title salt.
• To investigate the intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed.
• Analysis of hydrogen bonding and π-π interactions was performed.

Main Results:

• The crystal structure revealed a dihedral angle of 10.2° between the benzene ring and the nitro group.
• N-H⋯O hydrogen bonds link cations and anions into layers parallel to the ac plane.
• Weak C-H⋯O interactions and π-π stacking (3.738–3.748 Å) were observed within the layers.

Conclusions:

• The crystal packing is primarily dictated by hydrogen bonding and π-π interactions.
• The observed interactions contribute to the formation of a layered structure.
• This structural information is valuable for predicting material properties.