The molecular structure of THIANE (cas 1413-51-0)-1-oxide from electron diffraction

Add time:09/29/2019    Source:sciencedirect.com

The molecular structure of thiane-1-oxide has been determined by gas-phase electron diffraction. According to the electron diffraction data the molecule has a chair conformation with Cs symmetry. The oxygen atom takes axial position. The following bond distances (rg in Å) and bond angles (deg) were obtained (with estimated total errors): S-C, 1.816±0.004; (S)C-C(C), 1.538±0.003; (C)C-C(C), 1.539±0.003; S-O, 1.483±0.003; C-H, 1.123±0.003; S-C-C, 112.5±0.1; (S)C-C-C(C), 111.5±0.4; (C)C-C-C(C), 114.8±0.7; C-S-C, 91.1±0.7; O-S-C, 108.1±0.3.

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