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Structure of droperidol-ethanol (1/1)
C L Klein1, J Welch, L C Southall
1Xavier University of Louisiana, Department of Chemistry, New Orleans 70125.
Summary
This study details the crystal structure of a droperidol derivative, revealing an extended skeleton and a disordered ethanol solvate molecule. The ethanol forms a hydrogen bond with the droperidol structure at the imidazole ring's ketone atom.
Area of Science:
- Crystallography
- Organic Chemistry
- Medicinal Chemistry
Background:
- Droperidol is an antipsychotic and antiemetic agent.
- Understanding the solid-state structure of drug derivatives is crucial for pharmaceutical development.
Purpose of the Study:
- To determine the crystal structure of the title compound, a droperidol derivative.
- To analyze the molecular interactions and crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was used to elucidate the crystal structure.
- The crystal system was determined to be triclinic with space group P1.
Main Results:
- The compound crystallizes as an ethanol solvate (C22H22FN3O2.C2H6O).
- The droperidol skeleton is extended, and the ethanol molecule is disordered.
- A hydrogen bond was observed between the ethanol molecule and the droperidol skeleton's ketone atom.
Conclusions:
- The crystal structure provides detailed insights into the solid-state behavior of this droperidol derivative.
- The observed hydrogen bonding may influence the compound's physical and chemical properties.