N-(4-Meth-oxy-phen-yl)benzene-sulfonamide

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Sulfonamide derivatives are crucial in medicinal chemistry and materials science.
• Understanding the crystal packing and intermolecular interactions is key to predicting material properties.

Purpose of the Study:

• To elucidate the crystal structure of a novel sulfonamide compound.
• To investigate the molecular conformation, disorder, and intermolecular interactions.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, dihedral angles, and intermolecular interactions (hydrogen bonding, C-H···π) was performed.

Main Results:

• The crystal structure of C(13)H(13)NO(3)S was determined, revealing a disordered benzene ring in the sulfonamide moiety with an occupancy ratio of 0.56:0.44.
• The methoxybenzene group is nearly planar, with the amide nitrogen atom slightly displaced.
• Infinite polymeric chains are formed along the [100] direction via intermolecular N-H···O hydrogen bonding, with additional weak C-H···π interactions present.

Conclusions:

• The study provides detailed structural insights into a novel sulfonamide compound.
• The observed disorder and hydrogen bonding significantly influence the crystal packing and the formation of polymeric chains.
• These findings contribute to the understanding of structure-property relationships in sulfonamide-based materials.