Abstract
In the title molecule, C18H17N5O3S2, the heterocyclic thiazine ring adopts a twist boat conformation, with the S and N atoms displaced by 0.480 (7) and 0.205 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The pyrazole and benzene rings are tilted at an angle of 10.9 (2)° with respect to one another. The crystal structure is stabilized by intermolecular N—H⋯O and C—H⋯N hydrogen bonds, resulting in dimers forming nine-membered rings of graph-set motif R 2 2(9). In addition, intermolecular C—H⋯O interactions result in chains of molecules along the c axis, further consolidating the crystal packing.
Highlights
C18H17N5O3S2, the heterocyclic thiazine ring adopts a twist boat conformation, with the S and N atoms displaced by 0.480 (7) and 0.205 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms
The pyrazole and benzene rings are tilted at an angle of 10.9 (2) with respect to one another
The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry
Summary
Khanb and Masood Parvezc a Applied Chemistry Research Centre, PCSIR Laboratories Complex, Lahore 54600, Pakistan, bInstitute of Chemistry, University of the Punjab, Lahore 54590, Pakistan, and cDepartment of Chemistry, The University of Calgary, 2500 University Drive. C18H17N5O3S2, the heterocyclic thiazine ring adopts a twist boat conformation, with the S and N atoms displaced by 0.480 (7) and 0.205 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The pyrazole and benzene rings are tilted at an angle of 10.9 (2) with respect to one another. The crystal structure is stabilized by intermolecular N—H O and C—. H N hydrogen bonds, resulting in dimers forming ninemembered rings of graph-set motif R22(9). Intermolecular C—H O interactions result in chains of molecules along the c axis, further consolidating the crystal packing
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