Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 11 (November 2013)

organic compounds

Acta Cryst. (2013). E69, o1698    [ doi:10.1107/S1600536813028572 ]

Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2[lambda]6,1-benzo­thia­zine-3-carboxyl­ate

S. V. Shishkina, I. V. Ukrainets and L. A. Petrushova

Abstract: There are two independent mol­ecules in the asymmetric unit of the title compound, C13H13NO5S, in both of which the ester substituent is nearly coplanar [C-C-C-O torsion angles = 2.7 (7) and -0.8 (7)°] with the planar fragment of the bicycle due to the formation of a strong O-H...O intra­molecular hydrogen bond. The vinyl group at the ring N atom is approximately orthogonal to the heterocyclic mean plane [C-N-C-C torsion angles = 103.1 (6) and 98.2 (5)°]. The refinement was performed on a two-component, non-merohedrally twinned crystal [population ratio = 0.483 (3):0.517 (3).

CCDC reference: 966958

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