2-Cyano-1-methyl-pyridinium iodide

Area of Science:

• Crystallography
• Solid-state chemistry

Background:

• Understanding crystal structures is crucial for predicting material properties.
• Intermolecular interactions, such as hydrogen bonds, dictate crystal packing arrangements.

Purpose of the Study:

• To characterize the crystal structure of the title compound, C7H7N2(+)·I(-).
• To elucidate the intermolecular interactions governing its crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of non-covalent interactions, specifically C-H⋯I bonds, was performed.

Main Results:

• The cation, C7H7N2(+), exhibits a planar geometry with a root-mean-square deviation of 0.040 Å for non-hydrogen atoms.
• The crystal structure is characterized by undulating layers of cations and anions.
• These layers are stabilized by C-H⋯I interactions.

Conclusions:

• The planar nature of the cation and the specific C-H⋯I interactions are key features of this crystal structure.
• The observed packing motif provides insights into the supramolecular assembly of ionic compounds.