(R)-(-)-Quinuclidin-3-ol.

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• The compound (R)-(-)-1-aza-bicyclo-[2.2.2]octan-3-ol is a chiral molecule with potential applications in various chemical fields.
• Understanding the solid-state structure of organic molecules is crucial for predicting their physical properties and reactivity.

Purpose of the Study:

• To elucidate the crystal structure of (R)-(-)-1-aza-bicyclo-[2.2.2]octan-3-ol at low temperature.
• To investigate the intermolecular interactions and symmetry of the compound in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction at 100 K.
• Analysis of crystallographic data to determine molecular and crystal structure.
• Identification of symmetry elements and intermolecular interactions.

Main Results:

• The crystal structure of (R)-(-)-1-aza-bicyclo-[2.2.2]octan-3-ol was determined at 100 K, revealing hexagonal (P61) symmetry.
• A notable twist along the C-N pseudo-threefold axis was observed in the molecular structure.
• Molecules are organized into infinite chains along the c-axis via O-H⋯N hydrogen bonds.
• The crystal sample was found to be twinned by merohedry with a specific twin law and population ratio.

Conclusions:

• The low-temperature crystal structure provides detailed insights into the solid-state arrangement of (R)-(-)-1-aza-bicyclo-[2.2.2]octan-3-ol.
• The observed hydrogen bonding network dictates the chain-like assembly in the crystal.
• The presence of merohedral twinning is an important characteristic of the studied crystal sample.