5,6-Dimethyl-1H-benzimidazol-3-ium nitrate

Area of Science:

• Crystallography
• Materials Science

Background:

• Benzimidazole derivatives are important in medicinal chemistry and materials science.
• Understanding the solid-state structure of ionic compounds is crucial for predicting their properties.

Purpose of the Study:

• To characterize the crystal structure of the title salt (C9H11N2(+)·NO3(-)).
• To investigate the intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding networks was performed.

Main Results:

• The title salt crystallizes with a planar benzimidazole cation (r.m.s. deviation for 11 non-H atoms = 0.016 Å).
• N-H⋯O hydrogen bonds were identified, linking the nitrate anions and benzimidazole cations.
• These interactions form an extensive three-dimensional network throughout the crystal.

Conclusions:

• The planar nature of the benzimidazole cation influences crystal packing.
• Hydrogen bonding plays a significant role in stabilizing the three-dimensional crystal structure.
• The study provides fundamental structural insights into this class of ionic compounds.