Gliquidone.

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Sulfonamide derivatives are important in medicinal chemistry.
• Understanding molecular interactions is key to drug design.
• Previous theoretical studies provide a basis for experimental validation.

Purpose of the Study:

• To characterize the crystal structure and intermolecular interactions of a novel sulfonamide compound.
• To investigate the role of hydrogen bonding in the compound's solid-state structure.
• To compare experimental findings with theoretical predictions.

Main Methods:

• Single-crystal X-ray diffraction analysis was used to determine the molecular and crystal structure.
• Analysis of intra- and intermolecular hydrogen bonding patterns.
• Comparison of the observed conformation with theoretical calculations.

Main Results:

• The title compound, N-cyclo-hexyl-carba-moyl-4-[2-(7-meth-oxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetra-hydro-isoquinolin-2-yl)eth-yl]benzene-sulfonamide, was structurally characterized.
• An intramolecular N-H⋯O=S interaction was identified.
• Intermolecular N-H⋯O=C hydrogen bonds form chains parallel to the c axis.

Conclusions:

• The crystal structure is stabilized by a combination of intramolecular and intermolecular hydrogen bonds.
• The observed conformation of the sulfonyl-urea moiety is consistent with theoretical predictions.
• This structural information contributes to the understanding of sulfonamide-based compounds.