Abstract
In the title molecule, C17H16N2O4S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.546 (4) and 0.281 (4) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The molecular structure is stabilized by an intramolecular O—H⋯O hydrogen bond. The two aromatic rings are inclined to one another by 42.32 (11)°. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked via a series of C—H⋯O interactions, leading to the formation of a three-dimensional network.
Highlights
C17H16N2O4S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.546 (4) and 0.281 (4) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms
The molecular structure is stabilized by an intramolecular O—H O hydrogen bond
In continuation of our interest in the synthesis and crystal structures of 1,2-benzothiazine derivatives (Siddiqui et al, 2008; 2009) we report on the crystal structure of the title compound
Summary
R factor = 0.046; wR factor = 0.113; data-to-parameter ratio = 16.4. C17H16N2O4S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.546 (4) and 0.281 (4) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The molecular structure is stabilized by an intramolecular O—H O hydrogen bond. The two aromatic rings are inclined to one another by 42.32 (11). Molecules are linked by pairs of N—H O hydrogen bonds, forming inversion dimers. The dimers are linked via a series of. C—H O interactions, leading to the formation of a threedimensional network
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