1,2-O-Iso-propyl-idene-β-d-lyxo-furan-ose.

Area of Science:

• Crystallography and Molecular Structure
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Hydrogen bonding plays a significant role in the self-assembly of molecules and the formation of extended structures.
• The conformation of cyclic systems, such as furanose rings, influences molecular shape and intermolecular interactions.

Purpose of the Study:

• To elucidate the precise crystal structure and molecular conformation of the title compound C8H14O5.
• To investigate the role of hydrogen bonding in the formation of supramolecular architecture in the solid state.
• To characterize the specific conformations adopted by the pentofuranose and isopropylidene rings.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the atomic coordinates and unit cell parameters.
• Conformational analysis was performed on the furanose and isopropylidene rings.
• Intermolecular interactions, including hydrogen bonds and other contacts, were identified and analyzed.

Main Results:

• The pentofuranose ring adopts a twisted conformation, deviating from planarity.
• The isopropylidene group's five-membered ring exhibits an envelope conformation, with one atom displaced from the plane.
• An infinite network of O-H⋯O hydrogen bonds links hydroxy groups, forming layers parallel to the (001) crystallographic plane.
• Weak C-H⋯O contacts were observed between adjacent molecular layers.

Conclusions:

• The study provides a detailed structural characterization of C8H14O5, highlighting specific ring conformations.
• The observed hydrogen bonding network dictates the formation of layered supramolecular structures.
• The weak inter-layer contacts suggest potential for modifications or guest inclusion within the crystal lattice.