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(E)-1,2-Diphenyl-vinyl p-toluene-sulfonate
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the E isomer of a C(21)H(18)O(3)S compound, revealing specific spatial arrangements of its phenyl groups and vinyl structure. The research provides insights into the molecular geometry of this organic compound.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding the stereochemistry and three-dimensional structure of organic compounds is crucial for predicting their properties and reactivity.
- Esters containing sulfur and phenyl groups can exhibit unique electronic and structural characteristics.
Purpose of the Study:
- To elucidate the precise molecular structure of the title compound, C(21)H(18)O(3)S, specifically its E isomer.
- To characterize the spatial relationships between the phenyl substituents and the vinyl group.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of bond lengths, bond angles, and torsion angles provided detailed geometric information.
Main Results:
- The title compound was identified as the E isomer, with the ester -oxy linkage positioned trans to a phenyl group.
- A dihedral angle of 66.32(7)° was observed between the planes of the phenyl substituents on the vinyl carbons.
- The vinyl group exhibited non-planarity, characterized by a C(Ph)-C=C-C(Ph) torsion angle of 8.4(3)°.
Conclusions:
- The study provides a detailed crystallographic analysis of a specific organic ester.
- The observed non-planarity and dihedral angles offer insights into the conformational preferences of this molecule.
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