1H-Pyrazol-2-ium hydrogen oxalate.

Area of Science:

• Crystal engineering
• Supramolecular chemistry
• Hydrogen bonding

Background:

• Understanding intermolecular forces is crucial for crystal structure prediction.
• Hydrogen bonds play a significant role in the self-assembly of molecules.
• Investigating hydrogen bonding patterns provides insights into crystal packing.

Purpose of the Study:

• To elucidate the hydrogen bonding network in the title compound.
• To characterize the supramolecular architecture formed by cations and anions.
• To analyze the crystal structure and intermolecular interactions.

Main Methods:

• Single-crystal X-ray diffraction analysis.
• Analysis of hydrogen bonding interactions (O-H...O and N-H...O).
• Identification of graph set notations for hydrogen bonding motifs.

Main Results:

• Anions form centrosymmetric dimers via cyclic O-H...O hydrogen bonds (R(2)(2)(10)).
• These dimers link with cations through cyclic N-H...O hydrogen bonds (R(4)(2)(10)).
• Extended chain structures are formed across the (111) plane.

Conclusions:

• The crystal structure is governed by a well-defined hydrogen bonding network.
• The identified hydrogen bonding motifs dictate the overall supramolecular assembly.
• The study provides a detailed understanding of the crystal structure of the title compound.