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Glycinium trichloroacetate.

V H Rodrigues1, A Matos Beja, J A Paixão

  • 1CEMDRX, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, P-3004-516 Coimbra, Portugal. vhugo@pollux.fis.uc.pt

Acta Crystallographica. Section C, Crystal Structure Communications
|February 4, 2006
PubMed
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This study details the crystal structure of a glycinium trichloroacetate salt, revealing alternating chains of ions linked by strong hydrogen bonds. These findings contribute to understanding molecular interactions in crystalline materials.

Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Molecular structure

Background:

  • Glycinium and trichloroacetate are common chemical species.
  • Understanding the packing and bonding in crystalline salts is crucial for materials science.

Purpose of the Study:

  • To determine the crystal structure of the title compound (C2H6NO2+.C2Cl3O2-).
  • To analyze the bonding interactions and symmetry within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction analysis.
  • Space group determination (P4(1)).
  • Analysis of bond lengths, angles, and hydrogen bonding networks.

Main Results:

  • The compound crystallizes with two glycinium cations and two trichloroacetate anions per asymmetric unit.

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  • Glycinium cations exhibit near Cs symmetry, with amine group hydrogens causing slight deviation.
  • Trichloroacetate anions display typical geometry, with one disordered trichloromethyl group.
  • A crystal structure featuring chains of alternating cations and anions along the c-axis was observed.
  • Strong hydrogen bonds between carboxylate anions and cation groups (carboxylate and amine) link ions within chains.
  • Weaker hydrogen bonds connect adjacent chains, forming a 3D network.

    • Conclusions:

    • The crystal structure is characterized by a hydrogen-bonded network of alternating glycinium and trichloroacetate ions.
    • The observed hydrogen bonding dictates the packing and stability of the crystalline salt.