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Related Concept Videos

X-ray Crystallography02:18

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...
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...
Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide02:44

Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide

Alkenes are converted to 1,2-diols or glycols through a process called dihydroxylation. It involves the addition of two hydroxyl groups across the double bond with two different stereochemical approaches, namely anti and syn. Dihydroxylation using osmium tetroxide progresses with syn stereochemistry.

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Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods
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10-Methyl-isoalloxazine 5-oxide from synchrotron powder diffraction data.

Jan Rohlíček, Radek Cibulka, Jana Cibulková

    Acta Crystallographica. Section E, Structure Reports Online
    |May 19, 2011
    PubMed
    Summary

    This study details the crystal structure of 10-methyl-benzo[g]pteridine-2,4(3H,10H)-dione 5-oxide. The isoalloxazine compound forms dimers via hydrogen bonds and stacks through pi-pi interactions in its solid state.

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    Lipidico Injection Protocol for Serial Crystallography Measurements at the Australian Synchrotron
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    Lipidico Injection Protocol for Serial Crystallography Measurements at the Australian Synchrotron

    Published on: September 23, 2020

    Area of Science:

    • Crystallography
    • Organic Chemistry
    • Materials Science

    Background:

    • Isoalloxazine derivatives are crucial in biological systems and materials science.
    • Understanding the solid-state structure of such compounds informs their properties and potential applications.

    Purpose of the Study:

    • To elucidate the crystal structure of 10-methyl-benzo[g]pteridine-2,4(3H,10H)-dione 5-oxide.
    • To investigate the intermolecular interactions governing its crystal packing.

    Main Methods:

    • Single-crystal X-ray diffraction analysis.
    • Analysis of hydrogen bonding and pi-pi stacking interactions.

    Main Results:

    • The compound exhibits a large, approximately planar isoalloxazine core.
    • Molecules self-assemble into centrosymmetric dimers through N-H⋯O hydrogen bonds.
    • These dimers form extended stacks along the c-axis facilitated by pi-pi interactions with distances of 3.560(5) and 3.542(5) Å.
    • Weak C-H⋯O interactions further stabilize the crystal lattice.

    Conclusions:

    • The crystal structure reveals a well-defined packing arrangement driven by specific intermolecular forces.
    • The planar isoalloxazine core and observed interactions are key to the compound's solid-state organization.
    • This structural insight is valuable for designing related compounds with tailored properties.