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2,5-Dichloro-N-cyclo-hexyl-benzene-sulfonamide
Summary
This study details the molecular structure of a specific sulfonamide, C(12)H(15)Cl(2)NO(2)S. Crystal analysis reveals unique geometric arrangements and intermolecular hydrogen bonding critical for its solid-state structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Sulfonamides are a versatile class of organic compounds with diverse applications.
- Understanding the precise three-dimensional structure of sulfonamides is crucial for predicting their properties and designing new molecules.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title sulfonamide, C(12)H(15)Cl(2)NO(2)S.
- To investigate the molecular geometry, conformation, and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, torsion angles, and intermolecular contacts (hydrogen bonds and van der Waals forces).
Main Results:
- The sulfonamide exhibits a distorted tetrahedral geometry around the sulfur atom.
- One sulfonamide oxygen atom is coplanar with the benzene ring, while the other is significantly out of plane.
- The cyclohexyl ring adopts a chair conformation.
- Supramolecular chains are formed via N-H⋯O hydrogen bonds, further stabilized by C-H⋯O contacts in the crystal packing.
Conclusions:
- The study provides a comprehensive structural characterization of the title sulfonamide.
- The observed molecular conformation and intermolecular interactions dictate the compound's packing in the solid state.
- This structural information can inform future research on sulfonamide derivatives and their applications.
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