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$X-ray Diffraction of Biological Samples$ 01:10

X-ray Diffraction of Biological Samples

X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are scattered by the electron clouds around the sample atoms. The X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal crystal...

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Updated: Jun 11, 2026

Lipidico Injection Protocol for Serial Crystallography Measurements at the Australian Synchrotron

Lipidico Injection Protocol for Serial Crystallography Measurements at the Australian Synchrotron

Published on: September 23, 2020

Ezetimibe anhydrate, determined from laboratory powder diffraction data.

Jürgen Brüning¹, Edith Alig, Martin U Schmidt

¹Institute of Inorganic and Analytical Chemistry, University of Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt am Main, Germany.

Acta Crystallographica. Section C, Crystal Structure Communications

|July 7, 2010

Summary

This summary is machine-generated.

Researchers determined the crystal structure of ezetimibe anhydrate, a cholesterol-lowering drug, using powder X-ray diffraction. This analysis revealed detailed molecular packing and hydrogen bonding crucial for its pharmaceutical properties.

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Area of Science:

Crystallography
Medicinal Chemistry
Pharmaceutical Science

Background:

Ezetimibe is a widely prescribed medication for lowering cholesterol levels.
It functions by inhibiting intestinal cholesterol absorption.
Understanding its solid-state structure is vital for drug formulation and stability.

Purpose of the Study:

To elucidate the crystal structure of ezetimibe anhydrate.
To analyze the molecular packing and intermolecular interactions in the solid state.
To provide structural data relevant to ezetimibe's pharmaceutical applications.

Main Methods:

Powder X-ray diffraction (PXRD) data collection.
Real-space structure solution using the DASH program.
Rietveld refinement using TOPAS Academic software.

Main Results:

The crystal structure of ezetimibe anhydrate was successfully solved.
The compound crystallizes in the orthorhombic space group P2(1)2(1)2(1).
Analysis revealed close molecular packing and an extended hydrogen-bond network.

Conclusions:

The determined crystal structure provides a detailed understanding of ezetimibe anhydrate's solid form.
The structural insights can inform the development of improved ezetimibe formulations.
This study contributes to the knowledge base of cholesterol-lowering drug crystallography.