Abstract
In the title molecule, C20H19FN4O3S, the heterocyclic thiazine ring adopts a half-chair conformation with the S atom displaced by 0.668 (4) Å from the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined with respect to each other at a dihedral angle of 17.4 (3)°. The acetamide chain (O/N/C/C/C) linking the pyrazole and 2-fluorobenzyl rings is essentially planar (r.m.s. deviation = 0.030 Å) and forms dihedral angles with the mean planes of these rings of 78.8 (2) and 78.89 (14)°, respectively. The crystal structure is stabilized by N—H⋯O and C—H⋯O hydrogen-bonding interactions, resulting in a six-membered ring with an R 2 1(6) motif, while C—H⋯O and C—H⋯F hydrogen-bonding interactions result in chains of molecules lying along the c axis in a zigzag fashion.
Highlights
C20H19FN4O3S, the heterocyclic thiazine ring adopts a half-chair conformation with the S atom displaced by 0.668 (4) Å from the mean plane formed by the remaining ring atoms
The mean planes of the benzene and pyrazole rings are inclined with respect to each other at a dihedral angle of 17.4 (3)
The crystal structure is stabilized by N—H O
Summary
2-(3,4-Dimethyl-5,5-dioxo-2H,4Hpyrazolo[4,3-c][1,2]benzothiazin-2-yl)N-(2-fluorobenzyl)acetamide Ahmad,b Sana Aslamb and Masood Parvezc a Department of Chemistry, Government College University, Faisalabad 38000, Pakistan, bInstitute of Chemistry, University of the Punjab, Lahore 54590, Pakistan, and cDepartment of Chemistry, The University of Calgary, 2500 University Drive R factor = 0.049; wR factor = 0.146; data-to-parameter ratio = 11.4.
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