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Methyl 3',5'-dimeth-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
The crystal structure of C16H16O4 reveals a dihedral angle of 28.9° between its benzene rings. Molecules form layered structures with C-H⋯O contacts and π-π interactions.
Area of Science:
- Crystallography
- Solid-state chemistry
- Molecular packing
Background:
- Understanding molecular interactions is crucial for materials science.
- Crystal engineering aims to control solid-state structures and properties.
- Aromatic compounds exhibit diverse packing motifs.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C16H16O4.
- To analyze the intermolecular interactions governing crystal packing.
- To characterize the spatial arrangement of benzene rings within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Crystallographic data collection and refinement.
- Analysis of intermolecular contacts (C-H⋯O) and π-π interactions.
Main Results:
- The dihedral angle between the benzene rings in C16H16O4 was determined to be 28.9(2)°.
- Molecules are arranged in layers parallel to the b axis.
- Weak intermolecular C-H⋯O contacts and face-to-face π-π interactions were identified.
Conclusions:
- The crystal structure is stabilized by a combination of C-H⋯O hydrogen bonds and π-π stacking.
- The observed packing arrangement influences the overall solid-state properties.
- Detailed structural analysis provides insights into supramolecular assembly in organic crystals.
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