Crystal and Molecular Structure of 1,4,7-Trithiacyclononane

Richard S. Glass, George S. Wilson, William N. Setzer

Research output: Contribution to journalArticlepeer-review

130 Scopus citations

Abstract

The crystal and molecular structure of 1,4,7-trithiacyclononane has been determined from a single-crystal X-ray study. The compound crystallizes in the rhombohedral space group R3c with six molecules per unit cell of dimensions (hexagonal axes) a = b = 12.584 (3), c = 9.209 (2) Å. The observed and calculated densities are 1.41 (1) and 1.42 g cm-3, respectively. Full-matrix least-squares refinement using 252 unique reflections having 4° ≤ 2θ ≤ 50° and I ≥ 3σ (I) converged at R = 0.0217 and Rw = 0.0285. The compound exists, in the crystalline state, in the C3 conformation with the sulfur atoms endodentate. The transannular S-S distance is 3.45Å.

Original languageEnglish (US)
Pages (from-to)5068-5069
Number of pages2
JournalJournal of the American Chemical Society
Volume102
Issue number15
DOIs
StatePublished - Jul 1980

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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