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

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties.
• Intermolecular forces, such as hydrogen bonds and pi-stacking, dictate crystal packing and material characteristics.
• Fluorinated organic molecules offer unique electronic and structural properties relevant to various applications.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(18)H(18)FNO(3).
• To analyze the dihedral angles between aromatic rings and the acrylate group.
• To investigate the intermolecular interactions responsible for the compound's three-dimensional network formation.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Geometric analysis was performed to calculate dihedral angles between key molecular planes.
• Intermolecular interactions, including hydrogen bonds (C-H⋯O, N-H⋯O) and C-H⋯π interactions, were identified and analyzed.

Main Results:

• The crystal structure of C(18)H(18)FNO(3) was successfully determined.
• Specific dihedral angles of 61.58° and 13.33° were measured between the benzene rings and the acrylate/fluoro-phenyl system.
• Molecules self-assemble into ribbons via hydrogen bonding and further organize into a 3D network through C-H⋯π interactions.

Conclusions:

• The detailed structural analysis provides fundamental insights into the solid-state behavior of this fluorinated organic compound.
• The identified intermolecular interactions are key determinants of the observed crystal packing and network architecture.
• This structural information can guide the design of related materials with tailored properties.