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Related Experiment Videos

Astemizole tetrachlorocuprate(II).

M Parvez1, K Braitenbach

  • 1Department of Chemistry, The University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada T2N 1N4. parvez@ucalgary.ca.

Acta Crystallographica. Section C, Crystal Structure Communications
|October 12, 2000
PubMed
Summary

This study details the crystal structure of a novel astemizole derivative complexed with copper. The findings reveal hydrogen bonding interactions and a flattened tetrahedral geometry around the copper atom, with evidence of molecular disorder.

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Area of Science:

  • Coordination Chemistry
  • Crystallography
  • Medicinal Chemistry

Background:

  • Astemizole is an antihistamine drug with known biological activity.
  • Metal complexes of organic molecules are of interest for their potential therapeutic and material properties.
  • Understanding the solid-state structure is crucial for drug design and development.

Purpose of the Study:

  • To elucidate the crystal structure of the tetrachlorocuprate(II) complex of a novel astemizole derivative.
  • To investigate the coordination geometry around the copper center.
  • To analyze intermolecular interactions, such as hydrogen bonding, within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction analysis was performed on the synthesized compound.

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  • The crystal structure was solved and refined to determine atomic positions and bonding parameters.
  • Structural features, including bond lengths, angles, and intermolecular contacts, were analyzed.

    • Main Results:

    • The structure consists of diprotonated astemizole cations and tetrachlorocuprate(II) anions.
    • Hydrogen bonds were observed between the astemizole cations and chloride ligands of the copper complex.
    • The copper(II) ion exhibits a flattened tetrahedral geometry with distinct Cu-Cl bond lengths, and disorder was noted in the (4-methoxyphenyl)ethyl group.

    Conclusions:

    • The study provides a detailed structural characterization of a novel astemizole-copper complex.
    • The observed hydrogen bonding and coordination geometry offer insights into the supramolecular assembly.
    • The presence of conformers suggests conformational flexibility in the solid state.