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06:52
Synthesis of Esters Via a Greener Steglich Esterification in Acetonitrile
Published on: October 30, 2018
(E)-Ethyl 4-[4-(diethyl-amino)styr-yl]benzoate.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a molecule C(21)H(25)NO(2), revealing a specific dihedral angle between its benzene rings and identifying disordered ethyl groups. No specific intermolecular interactions were observed in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular conformation is crucial in organic chemistry.
- Crystal structure analysis provides detailed insights into molecular geometry and packing.
Purpose of the Study:
- To elucidate the three-dimensional structure of the molecule C(21)H(25)NO(2).
- To analyze the conformational parameters and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles was performed.
Main Results:
- The dihedral angle between the two benzene rings was determined to be 4.8(2)°.
- Disorder was observed in two ethyl groups, with specific site occupancies noted (66:34 and 81:19).
- No direction-specific intermolecular interactions were identified in the crystal structure.
Conclusions:
- The crystal structure of C(21)H(25)NO(2) has been fully characterized.
- The molecule exhibits a relatively planar conformation between its benzene rings and presents ethyl group disorder.
- The absence of specific intermolecular interactions suggests weak packing forces in the solid state.
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