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]-λ4-sulfanylidene}benzenesulfonamide
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Date
2015Type
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Abstract
The formulation that the title compound, C18H18N2O4S2, 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) A° , respectively] that are typical for such bonds. The notably unusual bond is S—N(oxazolidinone) [1.692 (2) A°] that is longer than a typical S—N bond [1.603 (18) A° , Mogul analysis; Macrae et al. (2008). J. Appl. Cryst. 41, 466–470]. The bo ...
The formulation that the title compound, C18H18N2O4S2, 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) A° , respectively] that are typical for such bonds. The notably unusual bond is S—N(oxazolidinone) [1.692 (2) A°] that is longer than a typical S—N bond [1.603 (18) A° , 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. ...
In
Acta Crystallographica Section E. Crystallographic Communications. Copenhagen. Vol. E71, no. 12 (Dec. 2015), p. o1097-o1098, sup-1-6
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