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Structure of N,N'-dimethyl-2,2'-dithiodibenzamide and 2-(benzylsulfinyl)-N-methylbenzamide. Intramolecular nonbonding S⋯O interaction

✍ Scribed by Iwasaki, F. ;Toyoda, N. ;Yamazaki, N.

Book ID
114506489
Publisher
International Union of Crystallography
Year
1989
Tongue
English
Weight
444 KB
Volume
45
Category
Article
ISSN
0108-2701

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An ab initio study of O=N-N=S with full geometry optimization has been carried out to corroborate the presence of an interaction between the terminal atoms in this type of structure, which, in O=N-N=O, apparently stabilizes the cis conformer. Using the unscaled 4-31G basis set with a full set of d f