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Related Experiment Videos

Cyclodecyl 4-nitrophenylacetate.

Judge Brown1, Diwakar M Pawar, Frank R Fronczek

  • 1Department of Chemistry, Jackson State University, Jackson, MS 39217-0510, USA.

Acta Crystallographica. Section C, Crystal Structure Communications
|September 30, 2006
PubMed
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Cyclodecyl 4-nitrophenylacetate adopts a boat-chair-boat conformation. This study details its specific structural features and an observed intermolecular interaction, providing insights into molecular packing.

Area of Science:

  • Organic Chemistry
  • Crystallography

Background:

  • Understanding the conformational preferences of cyclic esters is crucial in organic chemistry.
  • Cyclodecane derivatives offer a versatile scaffold for studying conformational dynamics.

Purpose of the Study:

  • To elucidate the specific three-dimensional structure and conformation of cyclodecyl 4-nitrophenylacetate.
  • To investigate the intermolecular interactions present in the crystalline state of this compound.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the molecular structure.
  • Conformational analysis of the ten-membered ring and the ester substituent was performed.

Main Results:

  • The ten-membered ring adopted a diamond-lattice boat-chair-boat [2323] conformation.

Related Experiment Videos

  • The 4-nitrophenylacetoxy substituent was located in the BCB IIIe position.
  • An intermolecular contact between an ester carbon and a nitro oxygen atom was identified (2.909 Å).

    • Conclusions:

    • The observed conformation aligns with theoretical predictions for cyclodecane derivatives.
    • The identified intermolecular contact offers insights into crystal packing and potential intermolecular forces.