TY - JOUR
T1 - Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane
T2 - An occupancy modulated structure
AU - Rae, A. David
AU - Linden, Anthony
AU - Majchrzak, Agnieszka
AU - Mloston, Grzegorz
AU - Heimgartner, Heinz
PY - 2004/8
Y1 - 2004/8
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=27644582806&partnerID=8YFLogxK
U2 - 10.1107/S0108768104010699
DO - 10.1107/S0108768104010699
M3 - Article
SN - 0108-7681
VL - 60
SP - 416
EP - 423
JO - Acta Crystallographica Section B: Structural Science
JF - Acta Crystallographica Section B: Structural Science
IS - 4
ER -