(E)-Ethyl 3-(2-fluoro-anilino)-2-(4-methoxy-phen-yl)acrylate

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Modeling

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• Substituted benzene rings and amino-acrylate groups are common motifs in pharmaceuticals and materials science.
• Detailed structural analysis provides fundamental data for further research and development.

Purpose of the Study:

• To elucidate the precise molecular geometry of the title compound, C(18)H(18)FNO(3).
• To quantify the dihedral angles between the planar subunits of the molecule.
• To provide a detailed crystallographic description for this specific organic compound.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure.
• The crystal structure was analyzed to identify individual planar subunits.
• Dihedral angles between these subunits were precisely calculated.

Main Results:

• The title compound, C(18)H(18)FNO(3), was structurally characterized.
• The molecule comprises two substituted benzene rings and an amino-acrylate group.
• Specific dihedral angles were determined: 47.48° between benzene rings, 57.95° and 11.27° between the amino-acrylate group and the respective phenyl rings.

Conclusions:

• The study successfully determined the non-planar conformation of C(18)H(18)FNO(3).
• The observed dihedral angles highlight the molecule's specific spatial arrangement.
• This structural data serves as a foundation for understanding the compound's potential applications.