N-[(4-Methyl-phen-yl)sulfon-yl]acetamide.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular interactions is crucial in materials science.
• Crystal engineering relies on predicting and controlling intermolecular forces.
• The specific compound C(9)H(11)NO(3)S was synthesized for structural investigation.

Purpose of the Study:

• To elucidate the crystal structure of the title compound C(9)H(11)NO(3)S.
• To analyze the dihedral angle between the benzene ring and the amide group.
• To characterize the hydrogen bonding network and supramolecular assembly in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of intermolecular interactions, including hydrogen bonds (C-H⋯O, N-H⋯O).
• Identification of crystallographic symmetry elements and motifs (inversion dimers, R(2)(2)(8) rings).

Main Results:

• The dihedral angle between the benzene ring and the amide group was determined to be 76.7(3)°.
• Molecules form inversion dimers through C-H⋯O hydrogen bonds, creating R(2)(2)(8) ring motifs.
• These dimers assemble into infinite tapes parallel to the b-axis via N-H⋯O and C-H⋯O hydrogen bonds.

Conclusions:

• The crystal structure of C(9)H(11)NO(3)S is characterized by a significant twist between the aromatic ring and the amide moiety.
• Specific hydrogen bonding interactions dictate the formation of dimers and extended tape-like supramolecular architectures.
• This detailed structural analysis provides insights into crystal packing principles for related organic compounds.