Abstract
The title compound, C11H11NO4S, possesses weak analgesic properties and is a source compound for the synthesis of highly active analgesic and anti-inflammatory compounds. The benzo-thia-zine ring adopts a conformation intermediate between twist-boat and sofa. The ester substituent is turned towards the endocyclic double bond because of steric repulsion. In the crystal, the mol-ecules form columns along the [001] direction, bound by N-H⋯O hydrogen bonds and stacking inter-actions.
Highlights
Structural commentaryThe dihydrothiazine heterocycle adopts a twist-boat conformation with puckering parameters (Zefirov et al, 1990) S = 0.57, Â = 53.3, É = 25.2
The title compound, C11H11NO4S, possesses weak analgesic properties and is a source compound for the synthesis of highly active analgesic and antiinflammatory compounds
The ester substituent is turned towards the endocyclic double bond because of steric repulsion
Summary
The dihydrothiazine heterocycle adopts a twist-boat conformation with puckering parameters (Zefirov et al, 1990) S = 0.57, Â = 53.3, É = 25.2. Some steric repulsion between the methyl substituent at the C7 atom and the ester group [the short intramolecular contact C11Á Á ÁO1 is 2.986 (5) Acompared to the van der Waals radii sum of 3.00 A (Zefirov, 1997)] is compensated for by the formation of the intramolecular C11—H11CÁ Á ÁO1 hydrogen bond (Table 1). The columns are connected by weak C4— H4Á Á ÁO3ii hydrogen bonds (Table 1). 3. Supramolecular features In the crystal, molecules of I form columns along the [001] direction (Fig. 2). Neighboring molecules within the column are linked by the N1—H1NÁ Á ÁO4i hydrogen bonds (Table 1)
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