82 research outputs found
2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2,4-benzothiadiazin-4-yl]acetic acid
In the molecule of the title compound, C16H12ClF3N2O4S, the thiadiazine ring adopts a half-chair conformation. The dihedral angle between the benzene ring of the benzothiadiazine ring system and trifluorophenyl group is 15.02 (7)°. In the crystal, centrosymmetrically related molecules are linked into dimers via pairs of O—H⋯O hydrogen bonds, generating R
2
2(8) ring motifs. The dimers are further connected into a three-dimensional network by C—H⋯O hydrogen bonds
2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid
In the title compound, C17H12F3NO4S, the heterocyclic thiazine 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 thiazine ring. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds
2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
In the asymmetric unit of the title compound, C17H12F3NO4S, there are two conformationally similar molecules in which the heterocyclic thiazine 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 molecules form dimers through cyclic carboxylic acid O—H...O hydrogen-bonding associations [graph set R22(8)] and are extended into chains along [101] through weak C—H...Osulfinyl hydrogen bonds [graph set R22(14)].
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