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Related Experiment Videos

cis-Dioxocyclam.

Mark S Mashuta1, Konstantin V Pimenov, Craig A Grapperhaus

  • 1Department of Chemistry, University of Louisville, KY 40292, USA. msmashuta.xray@louisville.edu

Acta Crystallographica. Section C, Crystal Structure Communications
|April 5, 2002
PubMed
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The crystal structure of cis-dioxocyclam was determined, revealing interleaved molecular columns. These columns are linked by hydrogen bonds, forming a unique chain-like arrangement in the solid state.

Area of Science:

  • Supramolecular Chemistry
  • Crystallography
  • Organic Chemistry

Background:

  • 1,4,8,11-tetraazacyclotetradecane-5,7-dione (cis-dioxocyclam) is a macrocyclic compound with potential applications in coordination chemistry.
  • Understanding the solid-state structure of such molecules is crucial for predicting their chemical behavior and designing new materials.

Purpose of the Study:

  • To elucidate the crystal structure of cis-dioxocyclam.
  • To investigate the intermolecular interactions governing the packing of cis-dioxocyclam molecules in the solid state.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure.
  • Analysis of hydrogen bonding networks and molecular packing was performed.

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Main Results:

  • The crystal structure of cis-dioxocyclam was determined in space group Cmca.
  • Molecules are arranged in interleaved columns along the crystallographic b axis.
  • A network of amido (N* * *O) and amino (N* * *N) hydrogen bonds interconnects the columns, forming a chain-like structure.

Conclusions:

  • The crystal packing of cis-dioxocyclam is dictated by a combination of hydrogen bonding and molecular symmetry.
  • The observed arrangement provides insights into the supramolecular assembly of macrocyclic diones.