N-(2-Chloro-benzo-yl)benzene-sulfonamide

Area of Science:

• Crystallography and Molecular Structure
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides fundamental insights into molecular geometry, intermolecular interactions, and solid-state behavior.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(13)H(10)ClNO(3)S.
• To analyze the molecular conformation, including dihedral angles between aromatic rings and the central functional group.
• To investigate intermolecular interactions, specifically hydrogen bonding, that govern crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of the asymmetric unit revealed the presence of two independent molecules.
• Identification and characterization of positional disorder in the chloro-phenyl ring.

Main Results:

• The asymmetric unit contains two independent molecules of C(13)H(10)ClNO(3)S.
• The chloro-phenyl ring exhibits positional disorder with occupancies of 0.836(2) and 0.164(2).
• Distinct dihedral angles were observed between the sulfonyl-bound phenyl ring, chloro-phenyl ring, and the -S-NH-C=O segment in both independent molecules.
• Molecules are organized into tetrameric units through N-H⋯O hydrogen bonds in the crystal lattice.

Conclusions:

• The crystal structure of C(13)H(10)ClNO(3)S has been successfully determined, revealing complex molecular arrangements.
• The observed disorder and specific dihedral angles provide valuable data on the conformational flexibility of the molecule.
• The formation of tetrameric units via hydrogen bonding highlights the importance of intermolecular forces in dictating crystal architecture.