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Related Experiment Videos

3-[3-(2-Fluoro-benzo-yl)thio-ureido]propionic acid.

Nurziana Ngah1, Nor Azanita Mohamed1, Bohari M Yamin2

  • 1Kulliyyah of Science, International Islamic University Malaysia, Bandar Indera Mahkota, 25200 Kuantan, Pahang, Malaysia.

Acta Crystallographica. Section E, Structure Reports Online
|June 19, 2014
PubMed
Summary

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This study details the molecular structure of a fluorinated benzoyl compound. It reveals specific conformations and intramolecular hydrogen bonds influencing crystal packing.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Molecular Structure Analysis

Background:

  • Understanding molecular conformation and intermolecular interactions is crucial in chemical research.
  • Fluorinated organic compounds exhibit unique properties relevant to various applications.

Purpose of the Study:

  • To elucidate the detailed molecular structure and conformation of the title compound (C10H11FN3O3S).
  • To investigate the role of intramolecular hydrogen bonding in stabilizing the molecular structure.
  • To describe the crystal packing and intermolecular interactions.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
  • Analysis of bond lengths, bond angles, and torsion angles provided conformational insights.

Related Experiment Videos

  • Identification and analysis of intra- and intermolecular hydrogen bonds.

    • Main Results:

    • The compound exhibits a trans-cis conformation around the thiono C=S bond.
    • The propionic acid group adopts an anti conformation, with a specific torsion angle of 173.8°.
    • Intramolecular N-H⋯O and N-H⋯F hydrogen bonds were observed, alongside intermolecular O-H⋯O hydrogen bonds forming inversion dimers.

    Conclusions:

    • The study provides a precise structural characterization of the fluorinated benzoyl compound.
    • Intramolecular hydrogen bonding plays a significant role in the molecule's conformation.
    • Crystal structure analysis reveals specific intermolecular interactions governing solid-state packing.