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3-Aminopyrazine-2-carboxylic acid

A J Dobson1, R E Gerkin

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

Acta Crystallographica. Section C, Crystal Structure Communications
|June 15, 1996
PubMed
Summary

The study reveals that 3-aminopyrazine-2-carboxylic acid forms extensive hydrogen bonds, leading to ordered atoms and pi-pi stacking. These interactions influence the molecule's structure and properties.

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Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • 3-Aminopyrazine-2-carboxylic acid is an organic compound with potential applications in various chemical fields.
  • Understanding its solid-state structure is crucial for predicting its chemical behavior and physical properties.

Purpose of the Study:

  • To elucidate the crystal structure and intermolecular interactions of 3-aminopyrazine-2-carboxylic acid.
  • To investigate the role of hydrogen bonding and pi-pi interactions in the molecule's packing.

Main Methods:

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

Main Results:

  • The compound exhibits an extensive network of intra- and intermolecular hydrogen bonds.
  • Hydrogen atoms on the carboxyl and amino groups are ordered, with no H-atom transfer to ring nitrogen atoms.
  • Planar molecules are stacked along the a-direction with a separation of 3.324 Å, indicating pi-pi interactions.

Conclusions:

  • The observed hydrogen bonding network and pi-pi stacking significantly influence the crystal packing and properties of 3-aminopyrazine-2-carboxylic acid.
  • The ordered nature of the hydrogen atoms contributes to the molecule's stability in the solid state.

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