(1H-Imidazol-4-yl)methanol

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Chemical Physics

Background:

• Hydrogen bonding is crucial for molecular assembly and material properties.
• Understanding crystal packing aids in predicting material behavior.
• Imidazole and hydroxyl groups are common functional groups involved in intermolecular interactions.

Purpose of the Study:

• To elucidate the predominant hydrogen bonding interactions in the crystal structure of C4H6N2O.
• To characterize the resulting supramolecular architecture.
• To identify other significant intermolecular forces, such as C-H⋯O interactions.

Main Methods:

• Single-crystal X-ray diffraction was used to determine the crystal structure.
• Analysis of intermolecular distances and angles identified hydrogen bonding networks.
• Topological analysis was employed to describe the network dimensionality.

Main Results:

• Two primary hydrogen bonding interactions were identified: N⋯H-O and O⋯H-N.
• These interactions facilitate the formation of a two-dimensional network parallel to the (10-1) plane.
• Secondary C-H⋯O interactions were also observed, contributing to the overall crystal packing.

Conclusions:

• The crystal structure of C4H6N2O is stabilized by a robust 2D hydrogen-bonded network.
• The identified hydrogen bonding patterns dictate the supramolecular organization in the solid state.
• Further studies could explore the influence of these interactions on the compound's physical and chemical properties.