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Updated: May 31, 2026

Optimized Procedure for Determining the Adsorption of Phosphonates onto Granular Ferric Hydroxide using a Miniaturized Phosphorus Determination Method

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Febuxostat methanol solvate.

Qi-Ying Jiang, Jing-Jing Qian, Jian-Ming Gu

Acta Crystallographica. Section E, Structure Reports Online

|July 15, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of febuxostat methanol monosolvate. It reveals a twist between the benzene and thia-zole rings and helical chains formed by hydrogen bonds.

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Area of Science:

Crystallography
Medicinal Chemistry
Solid-State Chemistry

Background:

Febuxostat is a medication used to treat gout by inhibiting xanthine oxidase.
Understanding the solid-state structure of drugs is crucial for formulation and bioavailability.
Methanol solvates can exhibit different physical and chemical properties compared to the anhydrous form.

Purpose of the Study:

To characterize the crystal structure of febuxostat methanol monosolvate.
To investigate the intermolecular interactions within the crystal lattice.
To provide insights into the solid-state behavior of febuxostat.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of bond lengths, bond angles, and torsion angles.
Identification and analysis of hydrogen bonding networks.

Main Results:

The crystal structure of febuxostat methanol monosolvate (C(16)H(16)N(2)O(3)S·CH(4)O) was successfully determined.
A significant twist of 5.3(1)° was observed between the benzene and thia-zole rings of the febuxostat molecule.
Intermolecular O-H⋯O and O-H⋯N hydrogen bonds were identified, forming helical chains along the 2(1) screw axis.

Conclusions:

The crystal structure provides a detailed understanding of febuxostat's solid form in the presence of methanol.
The observed molecular conformation and hydrogen bonding patterns are key features of this solvate.
This structural information is valuable for pharmaceutical development and predicting drug behavior.