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Related Experiment Videos

Bis[N-(2-hydroxyethyl)-beta-alaninato]copper(II).

Alexander V Pestov1, Eugenia V Peresypkina, Alexander V Virovets

  • 1I. Ya. Postovsky Institute of Organic Synthesis, Urals Division of the Russian Academy of Sciences, 20/22 Akademicheskaya/S. Kovalevskoy Street, 620219 Ekaterinburg, Russian Federation.

Acta Crystallographica. Section C, Crystal Structure Communications
|December 7, 2005
PubMed
Summary
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This study details the crystal structure of a copper(II) complex with N-(2-hydroxyethyl)-beta-alaninate (He-ala) ligands. The complex forms a square bipyramid with layered structures stabilized by hydrogen and van der Waals interactions.

Area of Science:

  • Coordination Chemistry
  • Crystal Engineering
  • Materials Science

Background:

  • Copper complexes are vital in catalysis and biological systems.
  • Understanding ligand coordination geometry is key to designing functional materials.
  • N-(2-hydroxyethyl)-beta-alaninate (He-ala) is a versatile chelating ligand.

Purpose of the Study:

  • To elucidate the crystal structure and intermolecular interactions of a novel copper(II) complex.
  • To characterize the coordination environment around the Cu(II) ion.
  • To investigate the self-assembly behavior driven by hydrogen bonding and van der Waals forces.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
  • Analysis of bond lengths, angles, and conformations provided insights into the coordination geometry.

Related Experiment Videos

  • Intermolecular interactions, including hydrogen bonds and van der Waals forces, were identified and analyzed.

    • Main Results:

    • The copper(II) ion is coordinated in a square bipyramidal geometry by two tridentate He-ala ligands.
    • Each He-ala ligand forms a beta-alaninate chelate ring (twist conformation) and an ethanolamine ring (envelope conformation).
    • The crystal structure exhibits layered arrangements parallel to the (10-1) plane, stabilized by O-H...O and N-H...O hydrogen bonds, with pseudo-face-centered close packing of molecular centers.

    Conclusions:

    • The study provides a detailed structural characterization of the [Cu(He-ala)2] complex.
    • The coordination geometry and intermolecular interactions dictate the supramolecular assembly into a 3D network.
    • This work contributes to the understanding of structure-property relationships in metal-organic complexes.