Conformational analysis of (S,S)-dimethyldiketopyridino-18-crown-6

Zsolt Böcskei, György M. Keseru, Dóra Menyhárd, Péter Huszthy, Jerald S. Bradshaw, Reed M. Izatt

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The crystal structure of (S,S)-dimethyldiketopyridino-18-crown-6, (I), C17H23NO7, an effective host for chiral organic ammonium salts is described. A minimumenergy conformation was obtained by a pseudo-Monte-Carlo conformational search in the gas phase and was compared with the crystal structure. Structural changes in chiral recognition processes are also discussed.

Original languageEnglish
Pages (from-to)463-466
Number of pages4
JournalActa Crystallographica Section C: Crystal Structure Communications
Issue number2
Publication statusPublished - Feb 15 1996


ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

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