Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)


organic compounds



lh5516 scheme

Acta Cryst. (2012). E68, o2761    [ doi:10.1107/S1600536812036148 ]

Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1[lambda]6,2-benzothiazol-2-yl)acetate

M. Zia-ur-Rehman, B. Shahid, H. L. Siddiqui, T. Ahmad and M. Parvez

Abstract: In the title molecule, C12H13NO5S, the benzisothiazole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the -C-C(=O)-O-C- sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (7)° with the benzisothiazole ring system. In the crystal, weak C-H...O hydrogen bonds involving methylene and methyne H atoms form R43(20) graph-set motifs.


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