Unknown

Dataset Information

0

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

Json Xml
altmetric image

Publications

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]

Similar Datasets

Unknown 3-Isopropyl-2,6-bis-(4-meth-oxy-phen-yl)-piperidin-4-one.
| S-EPMC3414364 | biostudies-literature
Unknown Bis[2,6-bis-(2-meth-oxy-phen-yl)pyridinium] di-μ-bromido-bis-[dibromidocuprate(II)].
| S-EPMC3051932 | biostudies-literature
Unknown 1,4-Dimeth-oxy-2,5-bis-{2-[4-(trifluoro-meth-yl)phen-yl]ethyn-yl}benzene.
| S-EPMC3151946 | biostudies-literature
Unknown {2-[(2,6-Difluoro-phen-oxy)meth-yl]phen-yl}boronic acid.
| S-EPMC2970217 | biostudies-literature
Unknown 1,4-Bis[(2,6-dimethoxy-phen-yl)ethyn-yl]benzene.
| S-EPMC2961624 | biostudies-literature
Unknown Bis(2-meth-oxy-phen-yl)(phen-yl)phosphine selenide.
| S-EPMC3050330 | biostudies-literature
Unknown Diisopropyl 1-(4-meth-oxy-phen-yl)-2,6-dimethyl-4-(3-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.
| S-EPMC3247382 | biostudies-literature
Unknown 2,6-Bis(4-meth-oxy-phen-yl)-1,3-dimethyl-piperidin-4-one O-benzyl-oxime.
| S-EPMC3275265 | biostudies-literature
Unknown 1,1'-Bis[bis-(4-meth-oxy-phen-yl)phosphan-yl]ferrocene.
| S-EPMC3393188 | biostudies-literature
Unknown Bis[5-meth-oxy-2-(meth-oxy-carbon-yl)phen-yl] methyl-phospho-nate.
| S-EPMC3998399 | biostudies-literature