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Diethyl pyrazine-2,5-dicarboxyl-ate.

Chuan-Hui Li1, Wen-Shi Wu, Yu-Min Huang

  • 1College of Materials Science and Engineering, Huaqiao University, Xiamen, Fujian 361021, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|July 17, 2012
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of a pyrazine compound (C10H12N2O4). Molecules exhibit a slight twist and form stacks through weak hydrogen bonds in the crystal lattice.

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Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • Pyrazine derivatives are important in medicinal chemistry and materials science.
  • Understanding the solid-state structure of organic molecules is crucial for predicting their properties.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C10H12N2O4.
  • To analyze the molecular conformation and intermolecular interactions within the crystal.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of bond lengths, bond angles, and intermolecular contacts (hydrogen bonds).

Main Results:

  • The molecule C10H12N2O4 crystallizes with the molecule located around an inversion center.
  • A slight twist of the carboxylate groups relative to the pyrazine ring was observed (dihedral angle of 2.76°).
  • Molecules are arranged in stacks along the c-axis mediated by weak C-H⋯O hydrogen bonds.

Conclusions:

  • The crystal structure provides detailed insights into the solid-state packing of this pyrazine derivative.
  • The observed conformation and hydrogen bonding network influence the material's properties.