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1,5-Di-meth-oxy-naphthalene.

Emmanuel Marfo-Owusu1, Amber L Thompson2

  • 1Department of Chemistry, University of Cape Coast, Cape Coast, Ghana.

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Summary
This summary is machine-generated.

This study details the molecular structure of a C12H12O2 compound, revealing a planar naphthalene system. The crystal packing exhibits a herringbone arrangement with weak intermolecular interactions.

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Area of Science:

  • Crystallography
  • Organic Chemistry
  • Molecular Structure Analysis

Background:

  • Understanding the solid-state structure of organic compounds is crucial for predicting material properties.
  • Naphthalene derivatives are common motifs in pharmaceuticals and materials science.

Purpose of the Study:

  • To elucidate the crystal structure and molecular conformation of the title compound (C12H12O2).
  • To investigate the influence of methoxy substituents on the naphthalene ring system's planarity.
  • To characterize the intermolecular interactions and packing arrangement in the solid state.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of bond lengths, angles, and deviations from planarity.
  • Identification of intermolecular interactions, such as C-H⋯O hydrogen bonds.

Main Results:

  • The title compound crystallizes with the molecule located at an inversion center.
  • The naphthalene moiety maintains a planar conformation, with methoxy groups at the 1- and 5-positions causing minimal distortion (max deviation of 0.0025(9) Å).
  • A herringbone packing arrangement was observed, with molecular layers parallel to the (100) plane and chains along [101] stabilized by weak C-H⋯O interactions.

Conclusions:

  • The methoxy groups do not significantly disrupt the planarity of the naphthalene core.
  • The crystal structure is characterized by a specific herringbone packing driven by weak intermolecular forces.
  • This detailed structural information provides a foundation for further studies on related naphthalene derivatives.