Tris(4-hydroxy-pyridinium) hydrogen sulfate-sulfate monohydrate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Solid-State Chemistry

Background:

• Understanding the intricate hydrogen bonding networks in crystalline salts is crucial for predicting their physical and chemical properties.
• Salts containing sulfate and hydrogen sulfate anions exhibit diverse structural motifs and hydrogen bonding patterns.

Purpose of the Study:

• To elucidate the crystal structure of the title salt, 3C(5)H(6)NO(+)·HSO(4) (-)·SO(4) (2-)·H(2)O.
• To characterize the hydrogen bonding interactions and the resulting network architecture.

Main Methods:

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

Main Results:

• The crystal structure features a hydrogen sulfate ion linked to a sulfate ion via an O-H⋯O hydrogen bond.
• A three-dimensional hydrogen-bonded network is formed, with the hydrogen sulfate-sulfate anion acting as an acceptor for three independent cations and a water molecule.
• One sulfate group within the hydrogen sulfate-sulfate species exhibits disorder in its oxygen atom positions with a 2:1 ratio.

Conclusions:

• The study successfully determined the crystal structure and characterized the extensive hydrogen bonding network.
• The observed disorder in the sulfate group provides insights into the dynamic aspects of the crystal structure.
• The findings contribute to the understanding of supramolecular assembly in sulfate-containing salts.