Crystal structure of sodium (1

Area of Science:

• Carbohydrate Chemistry
• Crystal Engineering
• Supramolecular Chemistry

Background:

• D-mannose is a key monosaccharide with diverse biological roles.
• Sulfonation of carbohydrates can yield compounds with novel properties.
• Understanding the crystal structure of carbohydrate derivatives is crucial for materials science.

Purpose of the Study:

• To elucidate the crystal structure of sodium (1S,2S,3S,4R,5R)-1,2,3,4,5,6-hexa-hydroxy-hexane-1-sulfonate.
• To investigate the supramolecular assembly and network formation in this carbohydrate sulfonate salt.
• To analyze the coordination environment of sodium cations and the hydrogen bonding patterns.

Main Methods:

• Single-crystal X-ray diffraction analysis.
• Chemical synthesis of the title salt from d-mannose and sodium bisulfite.
• Analysis of torsion angles, coordination numbers, and intermolecular interactions.

Main Results:

• The title salt crystallizes with an open-chain carbohydrate anion and sodium cations.
• The anion exhibits a planar zigzag conformation of the carbon backbone and sulfonate group.
• Sodium cations are penta-coordinated, forming a 3D network by linking carbohydrate anions.
• Carbohydrate anions form head-to-head arranged sheets, with intermolecular hydrogen bonds within sheets.
• Unusually, these double sheets are not interconnected by ion coordination or hydrogen bonding.

Conclusions:

• The study reveals a novel 3D supramolecular network constructed from d-mannose sulfonate anions and sodium cations.
• The observed crystal structure highlights unique head-to-head arrangement of anions and isolated double sheets.
• This work provides insights into the structural diversity of carbohydrate-derived salts and their potential for crystal engineering.