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Dimethyl 3,5-diethyl-1H-pyrrole-2,4-dicarboxyl-ate.

Gui-Fen Lu1, Wen-Sheng Lin, Wei-Hua Zhu

  • 1School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|November 18, 2011
PubMed
Summary
This summary is machine-generated.

This study details a novel pyrrole derivative (C12H17NO4) with specific methoxy-carbonyl and ethyl group attachments. The research highlights its crystal structure, featuring intermolecular hydrogen bonds that form head-to-head dimers.

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Area of Science:

  • Organic Chemistry
  • Crystallography

Background:

  • Pyrrole derivatives are important scaffolds in medicinal chemistry and materials science.
  • Understanding the structural and bonding characteristics of novel organic compounds is crucial for their application.

Purpose of the Study:

  • To synthesize and characterize a new pyrrole derivative, C12H17NO4.
  • To elucidate the crystal structure and intermolecular interactions of the synthesized compound.

Main Methods:

  • Chemical synthesis of the pyrrole derivative.
  • Single-crystal X-ray diffraction analysis to determine molecular and crystal structure.

Main Results:

  • The compound C12H17NO4 features a pyrrole ring substituted with two methoxy-carbonyl and two ethyl groups.
  • Dihedral angles indicate approximate planarity of carbonyl groups with the pyrrole ring.
  • Adjacent molecules form head-to-head dimers through intermolecular N-H⋯O hydrogen bonds in the crystal.

Conclusions:

  • The study successfully characterized a novel pyrrole derivative.
  • The crystal packing reveals specific hydrogen bonding interactions driving dimer formation.
  • This structural information is vital for future research on related compounds.