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2,3-Bis(phenoxy-meth-yl)buta-1,3-diene.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a symmetrically phenol-substituted divinyl analog (C18H18O2). The molecule features orthogonally intersecting phenolic and divinyl groups, stabilized by intramolecular and intermolecular interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the structure-property relationships of organic molecules is crucial for materials design.
- Phenol-substituted divinyl compounds represent a class of molecules with potential applications in various fields.
- Crystallographic analysis provides precise atomic-level structural information.
Purpose of the Study:
- To determine the precise three-dimensional molecular structure of the title compound, C18H18O2.
- To investigate the intermolecular interactions that govern the crystal packing and stability.
- To elucidate the relationship between molecular symmetry and crystal architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed.
Main Results:
- The molecule C18H18O2, a symmetrically phenol-substituted divinyl analog, crystallizes with imposed C2 symmetry.
- The phenolic and divinyl planar groups intersect orthogonally, with a dihedral angle of 82.7(1)°.
- Intramolecular C-H⋯O contacts stabilize the molecule, while C-H⋯π interactions form sheet structures parallel to the (201) plane.
Conclusions:
- The crystal structure of C18H18O2 reveals a unique orthogonal arrangement of functional groups.
- Intramolecular and intermolecular interactions play a significant role in dictating the solid-state structure.
- The findings contribute to the understanding of crystal engineering principles for organic materials.
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