Ethyl (E)-1-(2-styryl-1H-benzimidazol-1-yl)acetate

Area of Science:

• Organic Chemistry
• Crystallography
• Materials Science

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties.
• Benzimidazole derivatives are known for their diverse biological and material applications.

Purpose of the Study:

• To elucidate the crystal structure of the organic compound C(19)H(18)NO(2).
• To analyze the molecular conformation and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, dihedral angles, and intermolecular contacts.

Main Results:

• The dihedral angle between the benzimidazole and phenyl ring planes was determined to be 18.18(17)°.
• The ethyl side chain exhibited positional disorder with a 0.50:0.50 ratio.
• Intermolecular interactions, including C-H⋯O hydrogen bonds and C-H⋯π contacts, were identified.

Conclusions:

• The crystal structure provides fundamental insights into the solid-state behavior of this benzimidazole derivative.
• The identified intermolecular forces play a significant role in stabilizing the crystal packing.