Acta Crystallographica Section E (Feb 2014)

2,6-Bis(4-methoxyphenyl)-1,4-dithiine

  • Sha-Sha Zhao,
  • Qiong Su,
  • Zhi-Hong Peng,
  • De-Lie An

DOI
https://doi.org/10.1107/S1600536814000397
Journal volume & issue
Vol. 70, no. 2
pp. o137 – o137

Abstract

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The title molecule, C18H16O2S2, reveals crystallographic twofold rotation symmetry (with both S atoms lying on the axis) and one half-molecule defines an asymmetric unit. The dithiine ring is in a boat conformation. The aromatic ring and the C=C bond are nearly coplanar, with small torsion angles of −171.26 (19) and 8.5 (3)°. The two S—C bond lengths [1.7391 (19) and 1.7795 (18) Å] are shorter than single C—S bonds and longer than analogous C=S double bonds, which indicates a certain degree of conjugation between the lone pair on the S atom and π electrons of the C=C bond. The crystal packing only features van der Waals interactions.