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Related Experiment Videos

Methyl (E)-3-(2-formyl-phen-oxy)acrylate.

S Karthikeyan1, K Sethusankar1, R Selvakumar2

  • 1Department of Physics, RKM Vivekananda College (Autonomous), Chennai 600 004, India.

Acta Crystallographica. Section E, Structure Reports Online
|June 19, 2014
PubMed
Summary
This summary is machine-generated.

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This study details the molecular structure of a methyl acrylate compound, revealing its extended E conformation and S-trans keto group orientation. Crystal analysis shows molecules forming linked chains through hydrogen bonds.

Area of Science:

  • Organic Chemistry
  • Crystallography
  • Molecular Structure

Background:

  • Understanding molecular conformation and intermolecular interactions is crucial in organic chemistry.
  • Crystal packing influences material properties and reactivity.

Purpose of the Study:

  • To elucidate the specific molecular conformation of the title compound (C11H10O4).
  • To investigate the intermolecular interactions and crystal packing in the solid state.

Main Methods:

  • Single crystal X-ray diffraction analysis.
  • Conformational analysis of the methyl acrylate substituent.
  • Hydrogen bond network analysis using graph-set notation.

Main Results:

  • The methyl acrylate substituent adopts an extended E conformation (torsion angles ~180°).

Related Experiment Videos

  • The keto group exhibits an S-trans conformation relative to the olefinic double bond.
  • Molecules form inversion dimers via C-H⋯O hydrogen bonds (R2(2)(8) motif).
  • Dimers link into chains along [001] via additional C-H⋯O bonds, forming R3(2)(16) ring motifs.

    • Conclusions:

    • The study provides detailed insights into the solid-state structure and hydrogen bonding of the title compound.
    • The observed conformation and packing are dictated by specific C-H⋯O interactions.