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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 S, Parveen S, Zhu C - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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)]..

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of China.

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)]..

No MeSH data available.


The molecular conformation and atom numbering scheme for the two independent molecules (A and B) of the title compound in the asymmetric unit. Displacement ellipsoids are drawn at the 50% probability level.
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Fap1: The molecular conformation and atom numbering scheme for the two independent molecules (A and B) of the title compound in the asymmetric unit. Displacement ellipsoids are drawn at the 50% probability level.


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 S, Parveen S, Zhu C - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular conformation and atom numbering scheme for the two independent molecules (A and B) of the title compound in the asymmetric unit. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120568&req=5

Fap1: The molecular conformation and atom numbering scheme for the two independent molecules (A and B) of the title compound in the asymmetric unit. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: 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)]..

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of China.

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)]..

No MeSH data available.