4-Chloro-N-cyclo-hexyl-benzene-sulfonamide

Area of Science:

• Chemical Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides precise details on molecular conformation and intermolecular interactions.

Purpose of the Study:

• To elucidate the solid-state structure and conformation of the title compound, C(12)H(16)ClNO(2)S.
• To investigate the intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the crystal structure included conformational analysis of the cyclo-hexyl ring and the central C-S-N-C torsion angle.
• Identification and characterization of intermolecular hydrogen bonding networks.

Main Results:

• The title compound exhibits an L-shaped molecular conformation.
• The central C-S-N-C torsion angle was determined to be -78.0(2)°.
• The cyclo-hexyl ring adopts a chair conformation.
• Adjacent molecules form cyclic dimers through pairs of N-H⋯O hydrogen bonds, a motif described by the graph set R(2)(2)(8).

Conclusions:

• The study provides a detailed crystallographic description of C(12)H(16)ClNO(2)S, highlighting its specific conformation.
• The identified hydrogen bonding pattern explains the formation of dimeric units in the crystal lattice.
• These findings contribute to the understanding of structure-property relationships in related chemical entities.