Bis(oxotremorine) fumarate bis-(fumaric acid)

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Oxotremorine analogs are investigated for their potential pharmacological properties.
• Fumaric acid and its salts are common components in pharmaceutical formulations and chemical synthesis.
• Understanding the supramolecular assembly of organic salts is key to designing new materials.

Purpose of the Study:

• To elucidate the crystal structure and hydrogen bonding network of bis-(oxotremorine) fumarate bis-(fumaric acid).
• To characterize the supramolecular architecture formed by the title compound in the solid state.

Main Methods:

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

Main Results:

• The asymmetric unit contains one oxotremorine monocation, one fumaric acid molecule, and half a fumarate dianion.
• N-H⋯O and O-H⋯O hydrogen bonds form 40-membered rings (R⁶₆(40)).
• Fumarate anions link these rings into infinite chains along the [001] direction.

Conclusions:

• The study provides detailed structural insights into bis-(oxotremorine) fumarate bis-(fumaric acid).
• The identified hydrogen bonding patterns and chain formation are significant for understanding the compound's solid-state properties and potential applications.