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Crystal structure of 4-methyl-N-{(E)-methyl[(3aR,8aS)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-3-yl]-λ-sulfanylidene}benzenesulfonamide

Acta Crystallographica Section E: Crystallographic Communications, ISSN: 2056-9890, Vol: 71, Issue: Pt 12, Page: o1097-o1098
2015
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The formulation that the title compound, CHNO4S2, adopts is a zwitterionic core with the charge separated to the sulfilimine S and N atoms and is supported by the two different S - N bond distances about the sulfinimine N atom [1.594(2) and 1.631(2)Å, respectively] that are typical for such bonds. The notably unusual bond is S - N(oxazolidinone) [1.692(2)Å] that is longer than a typical S - N bond [1.603(18)Å, Mogul analysis; Macrae et al. (2008). J. Appl. Cryst. 41, 466-470]. The bond-angle sum about sulfilimine sulfur (308.35°) reflects the trigonal-pyramidal geometry of this atom. Two of the angles are less than 100°. Despite the pyramidalization of this sulfur, there are no significant intermolecular interactions, beyond usual van der Waals contacts, in the crystal packing.

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