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3,3'-Selenobis(propionic acid).

K I Doudin1, J Songstad, K W Törnroos

  • 1Department of Chemistry, University of Bergen, Allégaten 41, 5007 Bergen, Norway.

Acta Crystallographica. Section C, Crystal Structure Communications
|April 21, 2001
PubMed
Summary

This study details the structure of a selenium-containing carboxylic acid, highlighting its similarity to its sulfur counterpart. Findings reveal molecular symmetry and potential tautomerism in the solid state.

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Area of Science:

  • Organoselenium chemistry
  • Crystal structure analysis
  • Solid-state chemistry

Background:

  • Organosulfur compounds are well-studied, but their organoselenium analogues often present unique structural and chemical properties.
  • Understanding the structural features of organoselenium compounds is crucial for their application in various fields.

Purpose of the Study:

  • To elucidate the crystal structure and solid-state properties of the selenium-containing carboxylic acid, Se[CH(2)CH(2)C(O)OH](2).
  • To compare the structural characteristics with its sulfur analogue, S[CH(2)CH(2)C(O)OH](2).

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Infrared (IR) spectroscopy was used to investigate temperature-dependent changes, suggesting tautomerism.

Main Results:

  • The compound Se[CH(2)CH(2)C(O)OH](2) exhibits twofold symmetry with a C-Se-C bond angle of 96.48 degrees and Se-C bond lengths of 1.9610 A.
  • The shortest intermolecular Se...O distance was observed at 3.5410 A, and O...O distances within carboxylic acid dimers were 2.684 A.
  • Temperature-dependent IR spectra indicated the possibility of tautomerism in the solid state.

Conclusions:

  • Se[CH(2)CH(2)C(O)OH](2) is structurally similar to its sulfur analogue, indicating conserved bonding motifs.
  • The observed structural parameters and potential for solid-state tautomerism provide insights into the behavior of organoselenium carboxylic acids.

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