Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane: An occupancy modulated structure

A. David Rae, Anthony Linden*, Agnieszka Majchrzak, Grzegorz Mloston, Heinz Heimgartner

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    4 Citations (Scopus)

    Abstract

    The title compound crystallizes in the space group P21/n and may be described by a partial ordering of a 1:1 disordered P21/a parent structure with the c axis halved. The pentasulfane chain completes a full turn of a helix, which gives molecules containing left- or right-handed helices similar spatial requirements and allows them to be interchanged. The structure can be redescribed as containing 0.732 (1) of an ordered P21/n structure and 0.268 (1) of a 1:1 disordered P21/a structure, implying that 0.134 (1) of the molecule sites contain molecules of the opposite hand to that predicted by an ordered P21/n structure. It is found that the average molecular position in the asymmetric unit is not the same for each component and that these structural differences must be recognized to obtain a satisfactory refinement.

    Original languageEnglish
    Pages (from-to)416-423
    Number of pages8
    JournalActa Crystallographica Section B: Structural Science
    Volume60
    Issue number4
    DOIs
    Publication statusPublished - Aug 2004

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