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Related Experiment Videos

3-(1-Hydroxyethylidene)-1-phenylpyrrolidine-2,4-dione.

D D Ellis1, A L Spek

  • 1Bijvoet Center for Biomolecular Research, Department of Crystal and Structural Chemistry, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands. d.d.ellis@chem.uu.nl

Acta Crystallographica. Section C, Crystal Structure Communications
|April 21, 2001
PubMed
Summary

This study details the molecular structure of C(12)H(11)NO(3), highlighting its coplanar N-substituted phenyl group and pyrrolidine ring. It reveals extensive hydrogen bonding and C-H.O contacts influencing its crystal packing and properties.

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Area of Science:

  • Organic Chemistry
  • Crystallography
  • Molecular Structure Analysis

Background:

  • Understanding the three-dimensional structure of organic molecules is crucial for predicting their chemical behavior.
  • Hydrogen bonding and other non-covalent interactions play a significant role in molecular assembly and material properties.

Purpose of the Study:

  • To elucidate the detailed molecular structure of the compound C(12)H(11)NO(3).
  • To characterize the hydrogen bonding network and other intermolecular interactions present in the crystal structure.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the atomic arrangement.
  • Analysis of bond distances and angles provided insights into molecular geometry and interactions.

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Main Results:

  • The analysis revealed a coplanar N-substituted phenyl group attached to a pyrrolidine ring containing two keto groups and a hydroxyethylidene functionality.
  • A short intramolecular hydrogen bond (1.81 Å) and a longer intermolecular hydrogen bond (2.38 Å) involving the hydroxy group were identified.
  • Both keto groups participated in intra- and intermolecular C-H.O contacts with distances ranging from 2.26 to 2.41 Å.

Conclusions:

  • The molecular structure of C(12)H(11)NO(3) is characterized by specific functional groups and a defined spatial arrangement.
  • The identified hydrogen bonding and C-H.O contacts are key features contributing to the compound's crystal packing and stability.