Sodium quercetin-8-sulfonate trihydrate

Area of Science:

• Inorganic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• The title compound, a sodium salt of a complex organic anion, was synthesized and characterized.
• Understanding the structural and bonding properties of such coordination compounds is crucial in materials science.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of the title compound.
• To investigate the coordination environment of the sodium atom and the arrangement of the organic anion in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and hydrogen bonding patterns was performed.

Main Results:

• The organic anion exhibits a nearly planar conformation with a dihedral angle of 10.1° between its ring systems.
• The sodium atom is six-coordinated by oxygen atoms from water molecules and the organic anion.
• Intramolecular O-H⋯S and O-H⋯O interactions were identified.
• An extensive network of intermolecular O-H⋯S and O-H⋯O hydrogen bonds forms layers along the c axis.

Conclusions:

• The crystal structure reveals a well-defined coordination environment around the sodium ion and specific orientations of the organic anion.
• The identified hydrogen bonding network dictates the layered supramolecular architecture in the solid state.
• This structural information provides insights into the assembly of organic-inorganic hybrid materials.