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2-[(E)-1,1-Dioxo-2-(2,4,5-tri-fluoro-benz-yl)-3,4-di-hydro-2H-1,2-benzo-thia-zin-4-yl-idene]acetic acid.

ABSTRACT: In the asymmetric unit of the title compound, C17H12F3NO4S, there are two conformationally similar mol-ecules in which the heterocyclic thia-zine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84?(8) and 37.42?(8)°. In the crystal, the mol-ecules form dimers through cyclic carb-oxy-lic acid O-H?O hydrogen-bonding associations [graph set R (2) 2(8)] and are extended into chains along [101] through weak C-H?Osulfin-yl hydrogen bonds [graph set R (2) 2(14)]..

SUBMITTER: Zhu S

PROVIDER: S-EPMC4120568 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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2-[(E)-1,1-Dioxo-2-(2,4,5-tri-fluoro-benz-yl)-3,4-di-hydro-2H-1,2-benzo-thia-zin-4-yl-idene]acetic acid.

Zhu Shaojuan S Parveen Shagufta S Zhu Changjin C

Acta crystallographica. Section E, Structure reports online 20140614 Pt 7

In the asymmetric unit of the title compound, C17H12F3NO4S, there are two conformationally similar mol-ecules in which the heterocyclic thia-zine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84 (8) and 37.42 (8)°. In the crystal, the mol-ecules form dimers through cyclic carb-oxy-lic acid O-H⋯O hydrogen-bonding associations [graph set R (2) 2(8)] and are extended into chains along [101] through weak C-H⋯Osulfin-yl hydrogen bonds [graph set ...[more]

PMID: 25161563

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