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Related Experiment Videos

Atomic charges of cerbinal.

S Laphookhieo1, C Karalai, S Chantrapromma

  • 1Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand.

Acta Crystallographica. Section C, Crystal Structure Communications
|November 14, 2001
PubMed
Summary

This study reveals the planar structure of methyl 1-formyl-6-oxa-6H-indene-4-carboxylate. Molecular interactions, including hydrogen bonds, dictate its crystal packing arrangement.

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Area of Science:

  • Crystallography
  • Organic Chemistry
  • Molecular Structure

Background:

  • Understanding molecular structure and intermolecular forces is crucial in crystal engineering.
  • The indene scaffold is a versatile building block in organic synthesis.

Purpose of the Study:

  • To elucidate the crystal structure of methyl 1-formyl-6-oxa-6H-indene-4-carboxylate.
  • To investigate the role of intramolecular and intermolecular interactions in its crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction analysis.
  • Crystallographic data collection and structure refinement.

Main Results:

  • The title compound, methyl 1-formyl-6-oxa-6H-indene-4-carboxylate (C(11)H(8)O(4)), exhibits a planar molecular geometry.

Related Experiment Videos

  • Weak intramolecular C--H...O interactions and a significant intermolecular hydrogen bond were identified.
  • These interactions were found to influence the overall crystal packing.

    • Conclusions:

    • The planarity and specific intermolecular interactions are key determinants of the crystal lattice.
    • This structural insight contributes to the understanding of indene derivatives and their solid-state behavior.