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Related Experiment Videos

The structure of celiprolol.

N Kumar1, C Strohbeck, H L Ammon

  • 1Analytical and Physical Chemistry Department, Rhône-Poulenc Rorer Central Research, King of Prussia, Pennsylvania 19406.

Pharmaceutical Research
|March 1, 1992
PubMed
Summary
This summary is machine-generated.

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This study details the crystal structure and nuclear magnetic resonance (NMR) spectra of celiprolol. Definitive signal assignments were made for celiprolol hydrochloride using various NMR techniques.

Area of Science:

  • Crystallography
  • Spectroscopy
  • Medicinal Chemistry

Background:

  • Celiprolol is a pharmaceutical compound with a defined chemical structure.
  • Understanding the solid-state structure and spectral properties is crucial for drug development and quality control.

Purpose of the Study:

  • To elucidate the crystal structure of celiprolol.
  • To obtain and assign nuclear magnetic resonance (NMR) spectra for celiprolol hydrochloride.
  • To analyze intermolecular hydrogen bonding in the crystal.

Main Methods:

  • X-ray crystallography was employed to determine the crystal structure.
  • Monoclinic space group P2(1)/a was identified.
  • Structure refinement was performed to an R factor of 0.058.

Related Experiment Videos

  • Proton (1H), carbon-13 (13C), and two-dimensional (2D) NMR spectroscopy were utilized.

    • Main Results:

    • The crystal structure of celiprolol was determined, revealing its unit cell dimensions and space group.
    • Definitive assignments for 1H, 13C, and 2D NMR spectra of celiprolol hydrochloride were established.
    • Intermolecular hydrogen bonding interactions within the crystal lattice were analyzed.

    Conclusions:

    • The crystal structure provides insights into the solid-state conformation of celiprolol.
    • Comprehensive NMR spectral assignments facilitate further characterization and identification of celiprolol and its derivatives.
    • This structural and spectral data is valuable for pharmaceutical research and development.