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Related Experiment Video

Updated: May 13, 2026

Application and Methodology of the Non-destructive 19F Time-domain NMR Technique to Measure the Content in Fluorine-containing Drug Products

Application and Methodology of the Non-destructive ¹⁹F Time-domain NMR Technique to Measure the Content in Fluorine-containing Drug Products

Published on: August 22, 2017

Fluconazole-malonic acid (1/1).

Jože Kastelic¹, Danijel Kikelj, Ivan Leban

¹Krka d.d., Šmarješka cesta 6, 8501 Novo mesto, Slovenia.

Acta Crystallographica. Section E, Structure Reports Online

|March 12, 2013

Summary

This summary is machine-generated.

Researchers created a new fluconazole co-crystal with malonic acid. This antifungal drug co-crystal exhibits a unique molecular structure and hydrogen bonding patterns, influencing its solid-state properties.

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Area of Science:

Crystallography
Medicinal Chemistry
Solid-State Chemistry

Background:

Fluconazole is a widely used antifungal medication.
Co-crystallization is a strategy to modify drug properties.
Understanding drug crystal structures is crucial for formulation.

Purpose of the Study:

To synthesize and characterize a novel co-crystal of fluconazole and malonic acid.
To investigate the structural features and intermolecular interactions within the co-crystal.
To explore potential improvements in the solid-state properties of fluconazole.

Main Methods:

Co-crystallization of fluconazole and malonic acid in acetonitrile.
Single-crystal X-ray diffraction analysis to determine the crystal structure.
Analysis of hydrogen bonding and non-classical interactions.

Main Results:

Formation of a 1:1 co-crystal (C13H12F2N6O·C3H4O4).
Distorted tetrahedral geometry around the central fluconazole atom.
Identification of cyclic aggregates linked by hydrogen bonds, forming layered structures.

Conclusions:

The synthesized fluconazole-malonic acid co-crystal possesses a defined structure with specific hydrogen bonding networks.
The study provides insights into the solid-state behavior of fluconazole through co-crystallization.
This research contributes to the understanding of antifungal drug co-crystal design.