5-Phenyl-1,2,5-dithiazepane

Lauren A. Mitchell, Michelle L. Mejía, Seyma Gören Keskin, Bradley J. Holliday

Research output: Contribution to journalArticle

Abstract

In the title compound, C10H13NS2, the seven-membered ring adopts a chair conformation. The S - S bond length is 2.0406 (5) Å and the C - S - S - C torsion angle is -83.89 (7)°. The amine group is sp 2-hybridized. In the crystal, molecules are linked into chains along [001] by weak intermolecular S⋯S contacts of 3.5246 (5) Å.

Original languageEnglish (US)
Pages (from-to)o285
JournalActa Crystallographica Section E: Structure Reports Online
Volume70
Issue number3
DOIs
StatePublished - Mar 2014

Keywords

  • Data-to-parameter ratio = 14.9
  • Mean σ(C-C) = 0.002 Å
  • R factor = 0.024
  • Single-crystal X-ray study
  • T = 153 K
  • wR factor = 0.064

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  • Cite this

    Mitchell, L. A., Mejía, M. L., Keskin, S. G., & Holliday, B. J. (2014). 5-Phenyl-1,2,5-dithiazepane. Acta Crystallographica Section E: Structure Reports Online, 70(3), o285. https://doi.org/10.1107/S1600536814002207