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. 2008 Nov 20;64(Pt 12):o2396.
doi: 10.1107/S1600536808037434.

2,5-Bis(1,1,3,3-tetra-methyl-butyl)thio-phene

Hassan Y Elnagar, Mahmood Sabahi, Vince J Gatto, Frank R Fronczek

2,5-Bis(1,1,3,3-tetra-methyl-butyl)thio-phene

Hassan Y Elnagar et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

There are two independent mol-ecules in the asymmetric unit of the title compound, C(20)H(36)S. Crystals are non-merohedrally twinned by twofold rotation about [001]. The bulky octyl groups of each mol-ecule are on the same side of the thio-phene plane and are approximately parallel. S-C distances are in the range 1.729 (4)-1.745 (3) Å, and the C-S-C angles are 92.98 (18) and 93.08 (17)°. The CH(2) groups of the octyl groups are involved in weak C-H⋯S intra-molecular inter-actions.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title molecules. The displacement ellipsoids shown at the 50% probability level. The H atoms are shown with arbitrary radius.
Fig. 2.
Fig. 2.
Overlay of two independent molecules of the title structure (Duchamp, 2005). The H atoms are not shown.
See this image and copyright information in PMC

References

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    1. Cooper, R. I., Gould, R. O., Parsons, S. & Watkin, D. J. (2002). J. Appl. Cryst.35, 168–174.
    1. Duchamp, D. J. (2005). CrystMol D&A Consulting, L.C.C. URL: http://www.crystmol.com/home.html.

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