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3,3'',4,4''-Tetra-meth-oxy-1,1':4',1''-terphen-yl
Acta Crystallographica. Section E, Structure Reports Online
|November 18, 2011
Summary
This study details the crystal structure of a C(22)H(22)O(4) molecule, revealing its centrosymmetric nature and a specific dihedral angle between benzene rings. The findings highlight the formation of a 2D polymeric structure through hydrogen bonding in the crystal lattice.
Area of Science:
- Crystal engineering
- Supramolecular chemistry
- Organic solid-state chemistry
Background:
- Understanding molecular arrangement in crystals is crucial for designing materials with specific properties.
- The C(22)H(22)O(4) molecule possesses unique structural features with potential for self-assembly.
- Benzene ring interactions and hydrogen bonding play key roles in crystal packing.
Purpose of the Study:
- To elucidate the crystal structure of the title molecule C(22)H(22)O(4).
- To analyze the molecular geometry, including planarity and dihedral angles.
- To investigate the intermolecular interactions driving crystal formation.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed.
- The crystal packing and the nature of hydrogen bonding were examined.
Main Results:
- The C(22)H(22)O(4) molecule exhibits centrosymmetry with an inversion center at the benzene ring's core.
- The 3,4-dimethoxy-benzene fragment is nearly planar but twisted (21.25°) relative to the central benzene ring.
- C-H⋯O hydrogen bonds facilitate the formation of a 2D polymeric network parallel to the (100) plane.
Conclusions:
- The crystal structure of C(22)H(22)O(4) is characterized by specific molecular conformations and symmetry.
- Intermolecular C-H⋯O hydrogen bonds are the primary driving force for the observed 2D supramolecular architecture.
- This structural insight contributes to the understanding of crystal engineering principles for organic molecules.
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