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.
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 [1.594â
(2) and 1.631â
(2)â
Å, respectively] that are typical for such bonds. The notably unusual bond is S-N(oxazolidinone) [1.692â
(2)â
Å] that is longer than a typical S-N bond [1.603â
(18)â
Å, Mogul analysis; Macrae et al. (2008 â¸). 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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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