2-(4-Ethoxy-benzyl-idene)butanoic acid

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding intermolecular forces is crucial for predicting material properties.
• Crystal structure analysis reveals detailed molecular arrangements and interactions.
• Hydrogen bonding plays a significant role in molecular self-assembly.

Purpose of the Study:

• To determine the crystal structure of the title compound, C(13)H(16)O(3).
• To identify and characterize hydrogen bonding and other non-covalent interactions within the crystal lattice.
• To elucidate the factors governing the self-assembly of the molecule in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to obtain the crystal structure.
• Analysis of the crystal structure data to identify hydrogen bonds (intermolecular and intramolecular).
• Investigation of other non-covalent interactions, such as C-H⋯π interactions.

Main Results:

• The crystal structure of C(13)H(16)O(3) was successfully determined.
• Intermolecular O-H⋯O hydrogen bonding leads to the formation of dimeric units.
• An intramolecular C-H⋯O hydrogen bond was identified, forming a five-membered ring.
• A C-H⋯π interaction was observed between an ethyl group and the aromatic ring.

Conclusions:

• The crystal packing of C(13)H(16)O(3) is significantly influenced by a combination of intermolecular and intramolecular hydrogen bonding.
• The identified interactions provide a detailed understanding of the molecule's behavior in the solid state.
• These findings contribute to the broader knowledge of crystal engineering and supramolecular chemistry.