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Related Experiment Videos

3-Acetoxycyclohex-4-ene-1,2-dicarboxylic anhydride.

A R Kennedy1, A I Khalaf, C J Suckling

  • 1Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, Scotland.

Acta Crystallographica. Section C, Crystal Structure Communications
|July 21, 2004
PubMed
Summary

The study identified a specific isomer of a chemical compound (C10H10O5) with a boat-shaped ring structure. This compound exists as a pair of enantiomers, indicating a specific spatial arrangement of its atoms.

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Area of Science:

  • Organic Chemistry
  • Crystallography

Background:

  • Understanding the stereochemistry and conformational analysis of organic molecules is crucial in drug design and materials science.
  • The title compound, C(10)H(10)O(5), presents an interesting case for structural elucidation due to its potential for isomerism and complex ring structures.

Purpose of the Study:

  • To determine the precise isomeric form and three-dimensional structure of the title compound, C(10)H(10)O(5).
  • To analyze the conformational preferences of the cyclohexene ring within this specific molecule.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular structure.
  • Analysis of crystallographic data confirmed the presence of the endo-cis isomer and identified the specific conformation of the cyclohexene ring.

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Main Results:

  • The title compound was confirmed to exist as the endo-cis isomer.
  • A pair of enantiomers was observed within the asymmetric unit, indicating chirality.
  • The cyclohexene ring adopts a boat conformation, folded along the methylene-to-CH(acetoxy) vector.

Conclusions:

  • The structural characterization provides definitive information on the stereochemistry and conformation of C(10)H(10)O(5).
  • The findings contribute to the understanding of conformational flexibility in substituted cyclohexene systems.