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2,6-Bis(4-meth-oxy-phen-yl)-1,4-dithiine.

ABSTRACT: The title mol-ecule, C18H16O2S2, reveals crystallographic twofold rotation symmetry (with both S atoms lying on the axis) and one half-mol-ecule 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 ? electrons of the C=C bond. The crystal packing only features van der Waals inter-actions.

SUBMITTER: Zhao SS

PROVIDER: S-EPMC3998302 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

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2,6-Bis(4-meth-oxy-phen-yl)-1,4-dithiine.

Zhao Sha-Sha SS Su Qiong Q Peng Zhi-Hong ZH An De-Lie DL

Acta crystallographica. Section E, Structure reports online 20140115 Pt 2

The title mol-ecule, C18H16O2S2, reveals crystallographic twofold rotation symmetry (with both S atoms lying on the axis) and one half-mol-ecule 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 ...[more]

PMID: 24764863

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