2, 2′‐Bi[benzo[b]thiophene]: an unexpected isolation of the benzo[b]thiophene dimer. Issue 6 (6th May 2014)

• Record Type: Journal Article
• Authors: Cheung, Eugene Y.; Pennington, Lewis D.; Bartberger, Michael D.; Staples, Richard J.
• Is Part Of: Acta crystallographica. Volume 70:Issue 6(2014:Jun.)
• Page Start: 547
• Page End: 549
• Publication Date: 2014-05-06
• Subjects: Crystallography -- Periodicals; Crystals -- Periodicals; 548.3
• DOI: 10.1107/S2053229614009401
• Languages: English
• ISSNs: 2053-2296

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>The crystal structure of 2, 2′‐bi[benzo[<italic>b</italic>]thiophene], C₁₆H₁₀S₂, at 173 K has triclinic (<italic>P</italic><inline-graphic xlink:href="ark:/27927/pghh4xcqx6" mimetype="image" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />) symmetry. It is of interest with respect to its apparent mode of synthesis, as it is a by‐product of a Stille cross‐coupling reaction in which it was not explictly detected by spectroscopic methods. It was upon crystal structure analysis of a specimen isolated from the mother liquor that this reaction was determined to give rise to the title compound, which is a dimer arising from the starting material. Two independent half‐molecules of this dimer comprise the asymmetric unit, and the full molecules are generated <italic>via</italic> inversion centers. Both molecules in the unit cell exhibit ring disorder, and they are essentially identical because of their rigidity and planarity.</p> </abstract>