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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
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Methyl 3',4',5'-trimeth-oxy-biphenyl-4-carboxyl-ate
Manu Lahtinen1, Kalle Nättinen, Sami Nummelin
1University of Jyväskylä, Department of Chemistry, PO Box 35, FI-40014 JY, Finland.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
This study details the crystal structure of C17H18O5, revealing a 31.23° dihedral angle between benzene rings. Molecules pack in anti-parallel layers, stabilized by weak C-H⋯O and C-H⋯π interactions, crucial for understanding crystal packing. Keywords: crystal structure, C17H18O5, molecular packing, hydrogen bonds, π-interactions.
Area of Science:
- Solid-state chemistry
- Crystallography
- Organic chemistry
Background:
- Understanding the packing of organic molecules in crystals is fundamental to predicting and controlling material properties.
- Intermolecular interactions, such as hydrogen bonds and π-π stacking, play a critical role in crystal lattice formation.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C17H18O5.
- To investigate the specific intermolecular interactions governing the molecular arrangement in the solid state.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure of C17H18O5.
- Analysis of crystallographic data to identify and quantify dihedral angles and intermolecular contacts.
Main Results:
- The crystal structure of C17H18O5 was determined, showing a dihedral angle of 31.23(16)° between the two benzene rings.
- Molecules are arranged in anti-parallel layers along the a-axis.
- Weak C-H⋯O hydrogen bonds and C-H⋯π interactions involving methoxy and methyl ester groups were identified as key stabilizing forces.
Conclusions:
- The crystal packing of C17H18O5 is dictated by a combination of weak hydrogen bonding and π-interactions.
- The observed anti-parallel layered structure and specific interactions provide insights into the supramolecular assembly of this organic compound.
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