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Crystal structure of 4-methyl-N-{(E)-meth-yl[(3aR,8aS)-2-oxo-3,3a,8,8a-tetra-hydro-2H-indeno-[1,2-d][1,3]oxazol-3-yl]-λ(4)-sulfanyl-idene}benzene-sulfonamide.
Pereira, Patrícia A; Noll, Bruce C; Oliver, Allen G; Silveira, Gustavo P.
Afiliación
  • Pereira PA; Universidade Federal do Rio Grande do Sul, Instituto de Química Depto. Química Orgânica, Av. Bento Gonçalves, 9500 Agronomia, Porto Alegre RS 91501-970, Brazil.
  • Noll BC; Bruker AXS Inc., 3456 E. Cheryl Parkway, Madison, WI 53711, USA.
  • Oliver AG; Department of Chemistry & Biochemistry, University of Notre Dame, Notre Dame IN 46556, USA.
  • Silveira GP; Universidade Federal do Rio Grande do Sul, Instituto de Química Depto. Química Orgânica, Av. Bento Gonçalves, 9500 Agronomia, Porto Alegre RS 91501-970, Brazil.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 12): o1097-8, 2015 Dec 01.
Article en En | MEDLINE | ID: mdl-26870517
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) 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 inter-molecular inter-actions, beyond usual van der Waals contacts, in the crystal packing.
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2015 Tipo del documento: Article País de afiliación: Brasil

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2015 Tipo del documento: Article País de afiliación: Brasil