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Hydrogen bonding in 4-aminohippuric acid.

A J Dobson1, R E Gerkin

  • 1Department of Chemistry, Ohio State University, Columbus 43210, USA.

Acta Crystallographica. Section C, Crystal Structure Communications
|March 11, 1999
PubMed
Summary

This study details the crystal structure of a title acid, revealing a 3D hydrogen-bonded network. The findings clarify its molecular arrangement and interactions, aiding in understanding related compounds.

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Area of Science:

  • Crystallography
  • Chemical Physics
  • Materials Science

Background:

  • Understanding the crystal structure of organic molecules is crucial for predicting their physical and chemical properties.
  • Hippuric acid derivatives are of interest due to their biological relevance and potential applications.

Purpose of the Study:

  • To determine and analyze the crystal structure of the title acid (C9H10N2O3).
  • To investigate the hydrogen bonding network and molecular conformation.
  • To compare the structure with previous findings and related molecules.

Main Methods:

  • Single crystal X-ray diffraction was used to determine the crystal structure.
  • Analysis of hydrogen bond distances, angles, and network topology.
  • Comparison of dihedral angles and structural features with related compounds.

Main Results:

  • The title acid crystallized in the non-centrosymmetric space group P2(1)2(1)2(1).
  • Four hydrogen bonds were identified, forming a three-dimensional array of hydrogen-bonded chains, not cyclic dimers.
  • Specific dihedral angles between molecular planes were quantified.

Conclusions:

  • The crystal structure reveals an ordered, three-dimensional hydrogen bonding network.
  • The detailed structural analysis provides insights into the molecular packing and intermolecular interactions.
  • This study contributes to the structural understanding of hippuric acid derivatives.

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