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Glycinium trifluoroacetate.

V H Rodrigues1, J A Paixão, M M R R Costa

  • 1Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, P-3000 Coimbra, Portugal. vhugo@pollux.fis.uc.pt

Acta Crystallographica. Section C, Crystal Structure Communications
|November 5, 2002
PubMed
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This study details the crystal structure of glycinium trifluoroacetate, revealing a planar glycinium cation and a staggered trifluoroacetate anion. The structure is stabilized by extensive hydrogen bonding networks.

Area of Science:

  • Crystallography
  • Supramolecular Chemistry
  • Organic Chemistry

Background:

  • Glycinium trifluoroacetate is a salt formed from glycine and trifluoroacetic acid.
  • Understanding the solid-state structure of such compounds is crucial for predicting their physical and chemical properties.

Purpose of the Study:

  • To elucidate the detailed crystal structure of glycinium trifluoroacetate.
  • To analyze the molecular geometry and intermolecular interactions within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
  • Analysis of bond lengths, bond angles, and hydrogen bonding patterns was performed.

Main Results:

  • The glycinium cation exhibits a nearly planar N-C-COOH core.

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  • The trifluoroacetate anion adopts a staggered conformation with typical structural parameters.
  • A significant network of strong O-H...O and weaker N-H...O hydrogen bonds stabilizes the crystal structure.
  • The CF(3) group within the anion shows slight positional disorder.

    • Conclusions:

    • The crystal structure of glycinium trifluoroacetate is characterized by specific cation and anion conformations.
    • Intermolecular hydrogen bonding plays a critical role in the stabilization of the overall crystal lattice.
    • The findings provide fundamental insights into the solid-state behavior of amino acid-based ionic compounds.