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Related Experiment Videos

3,5-Pyrazoledicarboxylic acid monohydrate

Ching1, Pan, Huang

  • 1Department of Chemistry, Rutgers University, Camden, NJ 08102, USA.

Acta Crystallographica. Section C, Crystal Structure Communications
|September 15, 2000
PubMed
Summary

This study details the hydrogen bonding in 3,5-pyrazoledicarboxylic acid monohydrate, forming 1D chains and a 3D structure. Controlling pH allows for the design of new coordination polymers with diverse metal centers.

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Area of Science:

  • Crystal Engineering
  • Coordination Chemistry
  • Materials Science

Background:

  • 3,5-pyrazoledicarboxylic acid (H(3)pdc) is a versatile ligand for constructing coordination polymers.
  • Hydrogen bonding plays a crucial role in the self-assembly of crystalline materials.
  • Understanding crystal structures is key to designing functional materials.

Purpose of the Study:

  • To elucidate the crystal structure and hydrogen bonding network of the title compound, C(5)H(4)N(2)O(4).H(2)O.
  • To explore the potential of H(3)pdc in forming novel coordination polymers.
  • To investigate the influence of pH on the synthesis of coordination polymers.

Main Methods:

  • Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.

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  • Analysis of hydrogen bond distances and angles.
  • Exploration of coordination chemistry principles.

    • Main Results:

    • The compound features 1D chains formed by O-H.O and N-H.O hydrogen bonds (2.671(2) and 2.776(2) Å).
    • These chains assemble into a 3D structure via O-H.OW and OW-HW.N hydrogen bonds (2.597(3) and 2.780(3) Å).
    • The H(3)pdc ligand offers six coordination sites controllable via pH.

    Conclusions:

    • The detailed structural analysis reveals a robust hydrogen bonding framework.
    • The pH-tunable coordination of H(3)pdc offers significant potential for designing diverse coordination polymers.
    • This work provides a foundation for synthesizing new materials with tailored properties.