N-acetonylsaccharin

Abstract

IN THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(2-oxoprop-yl)-1,2-benzothia-zol-3(2H)-one 1,1-dioxide], C(10)H(9)NO(4)S, the benzo-thia-zole unit is essentially planar [maximum deviation = 0.0490 (9) Å for the S atom] and the oxopropyl group is inclined at an angle 75.61 (8)° with respect to its mean plane. In the crystal, mol-ecules are held together by weak inter-molecular C-H⋯O non-classical hydrogen bonds, resulting in centrosymmetric dimeric units, forming 14-membered ring systems which may be described as R(2) (2)(14) ring motifs. Moreover, mol-ecules lying about inversion centers show π-π inter-actions, with centroid-centroid separations between the benzene rings of 3.676 (2) Å.

Fig. 1.

ORTEP-3 (Farrugia, 1997) drawing of (I) with displacement ellipsoids plotted at 50% probability level.

Fig. 2.

Unit cell of (I) showing dimers of molecules formed by C—H···O interactions; H-atoms not involved in H-bonding interactions have been excluded.