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Related Experiment Videos

1-Acetyl-2,7-dimethoxynaphthalene.

P Prince1, F R Fronczek, R D Gandour

  • 1Department of Chemistry, Louisiana State University, Baton Rouge 70803-1804.

Acta Crystallographica. Section C, Crystal Structure Communications
|August 15, 1989
PubMed
Summary
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This study details the crystal structure of a naphthalene derivative, revealing specific molecular conformations and dihedral angles. Understanding these structural features is crucial for predicting chemical behavior and designing new molecules.

Area of Science:

  • Crystallography and Molecular Structure
  • Organic Chemistry
  • Materials Science

Background:

  • Naphthalene derivatives are important scaffolds in organic chemistry, with applications in pharmaceuticals and materials.
  • Accurate structural determination is fundamental for understanding chemical properties and reactivity.
  • Previous studies may lack detailed crystallographic data for this specific compound.

Purpose of the Study:

  • To determine the precise three-dimensional crystal structure of the C14H14O3 compound.
  • To analyze the molecular geometry, including planarity, dihedral angles, and torsion angles.
  • To provide foundational data for further research involving this naphthalene derivative.

Main Methods:

  • Single-crystal X-ray diffraction was employed for structural determination.

Related Experiment Videos

  • Data collection utilized Mo K alpha radiation at 293 K.
  • Structure refinement yielded an R-factor of 0.047 for 1909 observations.

    • Main Results:

    • The compound crystallizes in the monoclinic space group P2(1)/c with Z=4.
    • The fused rings exhibit a maximum deviation from planarity of 0.0285(15) A.
    • Key dihedral and torsion angles were quantified, including 117.91(6) degrees between the naphthalene system and acetyl group, and C-C-O-C torsion angles of -178.7(2) and -1.3(3) degrees for the methoxyl groups.

    Conclusions:

    • The crystal structure provides a detailed molecular model of the C14H14O3 compound.
    • The observed conformations of the methoxyl groups are significant for understanding intermolecular interactions.
    • This structural data serves as a critical reference for synthetic chemists and materials scientists.