IUCrData (Feb 2020)

2-(Octadecylsulfanyl)-1,3-thiazole

  • Joseph E. Muller II,
  • Laura R. Osborn,
  • Joseph R. Traver,
  • Patrick C. Hillesheim,
  • Matthias Zeller,
  • Arsalan Mirjafari

DOI
https://doi.org/10.1107/S2414314620001704
Journal volume & issue
Vol. 5, no. 2
p. x200170

Abstract

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The title compound, C21H39NS2, crystallizes with two molecules in the asymmetric unit, both having a linear 18-carbon alkyl chain bound through a thioether group. No π–π stacking or hydrogen bonding is observed. The orientation of the alkyl chains facilitates intermolecular interactions between te chains. The structure is metrically orthorhombic but crystallizes in the monoclinic space group P21 and was found to be twinned by pseudomerohedry (emulating orthorhombic symmetry) and by inversion. The twin factions refined to 0.37 (4), 0.13 (4), 0.31 (5), and 0.19 (4).

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