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Sarcosinium trifluoroacetate.

V H Rodrigues1, J A Paixão, M M Costa

  • 1Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, P-3000 Coimbra, Portugal.

Acta Crystallographica. Section C, Crystal Structure Communications
|August 16, 2000
PubMed
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This study details the crystal structure of protonated sarcosine trifluoroacetate, revealing a planar molecular skeleton. The crystal lattice is stabilized by extensive hydrogen bonding networks.

Area of Science:

  • Crystallography
  • Molecular structure analysis
  • Hydrogen bonding

Background:

  • Sarcosine is an amino acid derivative with biological relevance.
  • Trifluoroacetic acid is a strong carboxylic acid used in various chemical applications.
  • Understanding the solid-state structure of ionic compounds provides insights into intermolecular interactions.

Purpose of the Study:

  • To determine the crystal structure of the title compound, protonated sarcosine trifluoroacetate.
  • To analyze the molecular geometry and conformation of the protonated sarcosine cation and trifluoroacetate anion.
  • To investigate the intermolecular interactions, particularly hydrogen bonding, within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the crystal structure.

Related Experiment Videos

  • The crystal structure was solved and refined using standard crystallographic software.
  • Analysis of bond lengths, bond angles, and intermolecular contacts was performed.

    • Main Results:

    • The compound crystallizes in the monoclinic space group C2/c.
    • The protonated sarcosine molecule exhibits a nearly planar N-C-COOH skeleton.
    • The trifluoroacetate anion adopts a staggered conformation with a potentially disordered CF(3) group.
    • An extensive network of O-H...O and N-H...O hydrogen bonds stabilizes the crystal structure.

    Conclusions:

    • The crystal structure of protonated sarcosine trifluoroacetate has been elucidated.
    • The molecular geometry and hydrogen bonding network provide insights into the solid-state behavior of this ionic compound.
    • The findings contribute to the understanding of supramolecular assembly in organic salts.