Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Acemetacin monohydrate.

Thomas Gelbrich1, Mairi F Haddow, Ulrich J Griesser

  • 1Institut für Pharmazie, Universität Innsbruck, Innrain 52, 6020 Innsbruck, Austria. gelbrich@soton.ac.uk

Acta Crystallographica. Section C, Crystal Structure Communications
|August 7, 2007
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

The disordered structure of sparsentan: energy calculations for competing chain conformations.

Acta crystallographica. Section C, Structural chemistry·2025
Same author

Semisynthetic Derivatives of Perovskone: Development of a Promising Class of Antiprotozoal Lead Compounds.

Journal of natural products·2025
Same author

Iclaprim mesylate displaying a hydrogen-bonded mol-ecular tape.

Acta crystallographica. Section E, Crystallographic communications·2023
Same author

Crystal structure, PIXEL calculations of inter-molecular inter-action energies and solid-state characterization of the herbicide isoxaflutole.

Acta crystallographica. Section E, Crystallographic communications·2022
Same author

A Fluoroponytailed NHC-Silver Complex Formed from Vinylimidazolium/AgNO<sub>3</sub> under Aqueous-Ammoniacal Conditions.

Molecules (Basel, Switzerland)·2022
Same author

Expanding the Solid Form Landscape of Bipyridines.

Crystal growth & design·2021
Same journal

Intermolecular C-H···O, Cl···Cl and π-π interactions in the 2-dichloromethyl derivative of vitamin K3.

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese Physalis angulata L.

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Transannular S···N interactions in 10-ethynyl-10H-phenothiazine 5-oxide and 5,5-dioxide.

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen N-acetyl-L-glutamate from powder diffraction data.

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Three-dimensional hydrogen-bonded assembly in 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione-dimethylformamide-water (3/2/4).

Acta crystallographica. Section C, Crystal structure communications·2013
Same journal

Head-to-tail square-shaped cyclic hydrogen bonds leading to dimeric aggregates: 1,8-dibenzoyl-2,7-dihydroxynaphthalene and a comparison with its analogous benzoylnaphthalene.

Acta crystallographica. Section C, Crystal structure communications·2013
See all related articles

The crystal structure of acemetacin monohydrate reveals infinite hydrogen-bonded chains formed by the nonsteroidal anti-inflammatory drug and water molecules. These chains exhibit unique ring structures, offering insights into drug conformation.

Area of Science:

  • Crystallography
  • Medicinal Chemistry
  • Materials Science

Background:

  • Acemetacin is a nonsteroidal anti-inflammatory drug (NSAID) used for treating inflammatory conditions.
  • Understanding the solid-state structure of NSAIDs is crucial for drug design and formulation.
  • Previous studies have explored the structures of related compounds like indomethacin.

Purpose of the Study:

  • To elucidate the crystal structure of acemetacin monohydrate.
  • To investigate the hydrogen bonding network and supramolecular architecture.
  • To compare the conformational flexibility of acemetacin with related NSAIDs.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of hydrogen bonding interactions (O-H...O bonds) was performed.

Related Experiment Videos

  • Comparison of the determined structure with seven related crystal structures was conducted.

    • Main Results:

    • The structure of acemetacin monohydrate features one-dimensional infinite hydrogen-bonded chains.
    • Molecules of acemetacin and water are linked by three independent O-H...O bonds.
    • The central unit of the chains consists of alternating edge-fused R(4)(4)(12) and R(4)(4)(18) rings, each linking two acemetacin and two water molecules.

    Conclusions:

    • The study successfully determined the detailed crystal structure of acemetacin monohydrate.
    • The observed hydrogen-bonding pattern creates a unique supramolecular chain architecture.
    • Acemetacin and its analogues exhibit conformational flexibility, adopting at least two principal conformations in the solid state.