rac-18-Meth-oxy-coronaridine hydro-chloride

Area of Science:

• Crystallography
• Chemical Physics
• Solid-State Chemistry

Background:

• Understanding the intermolecular interactions within crystalline solids is crucial for predicting material properties.
• Racemic compounds present unique challenges and opportunities in crystal engineering due to the presence of both enantiomers.
• Hydrogen bonding plays a significant role in dictating crystal packing and stability.

Purpose of the Study:

• To elucidate the crystal structure of the title racemic compound, C(22)H(29)N(2)O(3) (+)·Cl(-).
• To investigate the nature and role of hydrogen bonding interactions in the crystal lattice.
• To characterize the supramolecular architecture formed by the compound and its counter-ion.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.
• Analysis of the crystal structure included bond length and angle measurements.
• Intermolecular interactions, specifically hydrogen bonds, were identified and analyzed.

Main Results:

• The crystal structure of the racemic title compound, C(22)H(29)N(2)O(3) (+)·Cl(-), was successfully determined.
• Both NH groups within the organic cation were observed to form N-H⋯Cl hydrogen bonds with the chloride counter-ion.
• These hydrogen bonds resulted in the formation of one-dimensional translational chains extending along the a crystallographic axis.

Conclusions:

• The crystal structure highlights the significant role of N-H⋯Cl hydrogen bonding in organizing the racemic compound.
• The observed translational chains represent a key feature of the compound's supramolecular assembly.
• This structural information provides a foundation for understanding the solid-state behavior and potential applications of this compound.