Molecular structure of a novel heterocycle: 1,1,4,4,tetramethyl-1 H,4 H-thieno[3,4-c]thiophene

Israel Goldberg*, Meir Freund, Samuel Braverman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The X-ray crystal structure of the title compound, C10H14S1, is reported. Crystals are monoclinic, space group P21/c with Z = 2 in a unit cell of dimensions a = 8.517(2), b = 6.109(1), c = 10.730(1) Å, and β = 107.01(2)°. The structure was solved by direct methods and refined by full-matrix least squares to R = 0.032 for 1059 diffractometer data. The bicyclic molecular framework contains eight π-electrons and is planar and rigid, all relevant interatomic distances corresponding to either ideally single or ideally double bonds. The first UV absorption observed at 3.61 eV, and tentatively described as due to a π(bg) → π*(au*) electron transition, is significantly higher than that found in a related aromatic tetraphenylthienothiophene system.

Original languageEnglish
Pages (from-to)157-165
Number of pages9
JournalJournal of Crystal and Molecular Structure
Volume11
Issue number5-6
DOIs
StatePublished - Dec 1981

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