Molecular structure of 4,4′-sulfandiyl-bis-thiophenol from electron diffraction

György Schultz, István Hargittai, Mária Kolonits, Jozef Garbarczyk

Research output: Article

6 Citations (Scopus)

Abstract

The molecular structure of 4,4′-sulfanidyl-bis-thiophenol (C12H10S3) has been determined by gas electron diffraction. Assuming identical geometry and D2h local symmetry for SC6H4S moieties, the following bond lengths (rg) and bond angles were obtained: CH = 1.101 ± 0.005, SH = 1.388 ± 0.019, (CC)mean = 1.400 ± 0.003, (SC)mean = 1.778 ± 0.004 Å, CarSCar = 103.5 ± 1.3, CC(S)C = 120.4 ± 0.3, C(H)C(H)H = 119.1 ± 0.9 and CSH = 94.6 ± 3.1°. Two ratational forms were found to reproduce the experimental data, characterized by dihedral angles of the benzene rings with respect to the CarSCar plane; φ{symbol}1 = 67.8 ± 2.0°, φ{symbol}2 = 4.5 ± 7.2°, and φ{symbol}1 = 69.4 ± 2.0δ, φ{symbol}2 = -26.6 ± 7.1°. Identical signs of φ{symbol}1 and φ{symbol}2 indicate that the two benzene rings are rotated in the same direction about the respective ScentralC axes.

Original languageEnglish
Pages (from-to)267-274
Number of pages8
JournalJournal of Molecular Structure
Volume160
Issue number3-4
DOIs
Publication statusPublished - szept. 1987

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ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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