Synthesis and crystal structure of 2-(1,3-dithietan-2-yl-idene)cyclo-hexane-1,3-dione.

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  • Additional Information
    • Source:
      Publisher: John Wiley & Sons Ltd Country of Publication: England NLM ID: 101648987 Publication Model: eCollection Cited Medium: Print ISSN: 2056-9890 (Print) NLM ISO Abbreviation: Acta Crystallogr E Crystallogr Commun Subsets: PubMed not MEDLINE
    • Publication Information:
      Original Publication: West Sussex : John Wiley & Sons Ltd. [2015]-
    • Abstract:
      The title compound, C 8 H 8 O 2 S 2 , contains a cyclo-hexane-1,3-dione ring, which has a twist-boat conformation. The C 2 S 2 ring is close to planar (r.m.s. deviation = 0.023 Å) and the dihedral angle between the mean planes of the cyclo-hexane and 1,3-dithietane rings is 9.1 (3)°. Short intra-molecular S⋯O contacts occur [2.719 (5) and 2.740 (5) Å]. In the crystal, the mol-ecules are linked by weak C-H⋯S hydrogen bonds and short [3.165 (5) Å] S⋯O contacts, forming (010) layers. The prevalence of these inter-actions is illustrated by an analysis of the three-dimensional Hirshfeld surface and by two-dimensional fingerprint plots.
      (© Kellou et al. 2022.)
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    • Contributed Indexing:
      Keywords: Hirshfeld surface analysis; crystal structure; hydrogen bond; ketene di­thio­acetal
    • Publication Date:
      Date Created: 20221116 Latest Revision: 20221117
    • Publication Date:
      20240829
    • Accession Number:
      PMC9638978
    • Accession Number:
      10.1107/S2056989022009872
    • Accession Number:
      36380906