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Related Concept Videos

X-ray Diffraction of Biological Samples01:10

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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X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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X-ray Imaging

German physicist Wilhelm Röntgen (1845–1923) was experimenting with electrical current when he discovered that a mysterious and invisible "ray" would pass through his flesh but leave an outline of his bones on a screen coated with a metal compound. In 1895, Röntgen made the first durable record of the internal parts of a living human: an "X-ray" image (as it came to be called) of his wife’s hand. Scientists worldwide quickly began their own experiments with X-rays, and by 1900, X-ray was widely...

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Related Experiment Video

Updated: Jun 1, 2026

Biochemical and Structural Characterization of the Carbohydrate Transport Substrate-binding-protein SP0092
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Capecitabine from X-ray powder synchrotron data.

Jan Rohlicek, Michal Husak, Ales Gavenda

    Acta Crystallographica. Section E, Structure Reports Online
    |May 18, 2011
    PubMed
    Summary

    This study details the crystal structure of 5-deoxy-5-fluoro-N-(pentyloxycarbonyl)cytidine, revealing a disordered pentyl chain and specific intermolecular hydrogen bonds. These interactions contribute to the compound's unique crystal packing and electrostatic properties.

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    Area of Science:

    • Crystallography
    • Organic Chemistry
    • Medicinal Chemistry

    Background:

    • Cytidine analogs are crucial in antiviral and anticancer therapies.
    • Understanding the structural properties of modified nucleosides is key to drug design.
    • 5-deoxy-5-fluoro-N-(pentyloxycarbonyl)cytidine is a novel cytidine derivative.

    Purpose of the Study:

    • To elucidate the crystal structure of 5-deoxy-5-fluoro-N-(pentyloxycarbonyl)cytidine.
    • To analyze the molecular conformation and intermolecular interactions.
    • To provide insights into the structure-activity relationship of fluorinated cytidine analogs.

    Main Methods:

    • Single-crystal X-ray diffraction analysis.
    • Structure refinement using crystallographic software.
    • Analysis of hydrogen bonding and electrostatic interactions.

    Main Results:

    • The pentyl chain exhibits positional disorder with refined occupancies.
    • The furan ring adopts an envelope conformation.
    • Intermolecular N-H⋯O hydrogen bonds form chains along the b axis.
    • Electrostatic interactions are observed between 5-fluoro-pyrimidin-2(1H)-one fragments.

    Conclusions:

    • The determined crystal structure provides a detailed understanding of the compound's solid-state arrangement.
    • The observed disorder and intermolecular interactions are critical for the compound's physical and potentially biological properties.
    • This structural information can guide the development of new fluorinated cytidine-based therapeutics.