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2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)-N-(2-fluoro-benz-yl)acetamide.

ABSTRACT: In the title mol-ecule, C(20)H(19)FN(4)O(3)S, the heterocyclic thia-zine 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-fluoro-benzyl 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 inter-actions, resulting in a six-membered ring with an R(2) (1)(6) motif, while C-H?O and C-H?F hydrogen-bonding inter-actions result in chains of mol-ecules lying along the c axis in a zigzag fashion.

SUBMITTER: Ahmad M

PROVIDER: S-EPMC3414926 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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