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2-[1,1-Dioxo-2-(2,4,5-trifluoro-benz-yl)-2H-1,2-benzothia-zin-4-yl]acetic acid.

ABSTRACT: In the title compound, C(17)H(12)F(3)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and the N atoms displaced by -0.608?(3) and 0.105?(3)?Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is 36.63?(8)° and the acetic acid group is inclined at right angles [89.78?(8) °] to the mean plane formed by the C atoms of the thia-zine ring. The crystal structure features O-H?O and C-H?O hydrogen bonds.

SUBMITTER: Yang Y

PROVIDER: S-EPMC3344496 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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2-[1,1-Dioxo-2-(2,4,5-trifluoro-benz-yl)-2H-1,2-benzothia-zin-4-yl]acetic acid.

Yang Yanchun Y Yu Youzhu Y Zhu Changjin C

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the title compound, C(17)H(12)F(3)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and the N atoms displaced by -0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is 36.63 (8)° and the acetic acid group is inclined at right angles [89.78 (8) °] to the mean plane formed by the C atoms of the thia-zine ring. The crystal structure features O-H⋯O and C-H⋯O hydrogen bo ...[more]

PMID: 22590258

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