2-Trifluoro-methyl-1H-benzimidazole

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Benzimidazole derivatives are important scaffolds in medicinal chemistry.
• Trifluoromethyl groups can significantly alter a molecule's properties.
• Understanding crystal structures provides insights into molecular interactions.

Purpose of the Study:

• To elucidate the crystal structure of 2-trifluoromethyl-1H-benzimidazole.
• To characterize the molecular symmetry and hydrogen bonding network.
• To investigate the conformational behavior of the trifluoromethyl group.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed.
• The crystal structure was solved and refined.
• Analysis of intermolecular interactions, including hydrogen bonds, was performed.

Main Results:

• The asymmetric unit contains two half-molecules related by crystallographic symmetry.
• 2-Trifluoromethyl-1H-benzimidazole molecules form chains via N-H⋯N hydrogen bonds.
• The trifluoromethyl group exhibits disorder over two orientations.

Conclusions:

• The crystal structure of 2-trifluoromethyl-1H-benzimidazole has been determined.
• The compound exhibits a characteristic hydrogen bonding motif.
• The observed disorder provides insights into molecular flexibility.