134 research outputs found
N-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
In the title molecule, C17H16N2O4S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.546 (4) and 0.281 (4) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The molecular structure is stabilized by an intramolecular O—H⋯O hydrogen bond. The two aromatic rings are inclined to one another by 42.32 (11)°. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked via a series of C—H⋯O interactions, leading to the formation of a three-dimensional network
3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1,4-trione
In the title molecule, C24H19NO6S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.180 (5) and 0.497 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazine unit and the methoxyphenyl group are almost coplanar, with the dihedral angle between the mean planes of these rings being 5.9 (2)°, while the benzene ring of the 2-oxo-2-phenylethyl group is inclined at 79.68 (11) and 81.01 (10)°, respectively, to these rings. The molecular structure is consolidated by intramolecular O—H⋯O and C—H⋯N interactions, and the crystal packing is stabilized by weak C—H⋯O hydrogen bonds
N-Acetonylsaccharin
In the title compound [systematic name: 2-(2-oxopropyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide], C10H9NO4S, the benzothiazole unit is essentially planar [maximum deviation = 0.0490 (9) Å for the S atom] and the oxopropyl group is inclined at an angle 75.61 (8)° with respect to its mean plane. In the crystal, molecules are held together by weak intermolecular C—H⋯O non-classical hydrogen bonds, resulting in centrosymmetric dimeric units, forming 14-membered ring systems which may be described as R
2
2(14) ring motifs. Moreover, molecules lying about inversion centers show π–π interactions, with centroid–centroid separations between the benzene rings of 3.676 (2) Å
4-Hydroxy-2-methyl-1,1-dioxo-N-phenyl-2H-1λ6,2-benzothiazine-3-carboxamide
In the title molecule, C16H14N2O4S, the thiazine ring adopts a twist chair conformation with the N and adjacent C atom displaced by 0.966 (3) and 0.386 (4) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The dihedral angle between the mean planes of the benzene rings is 37.65 (10)°. The molecular structure features an intramolecular O—H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, molecules are linked by N—H⋯O and C—H⋯O hydrogen bonds
N-(2-Chlorophenyl)-4-hydroxy-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
In the title compound, C15H11ClN2O4S, there are two independent molecules in the asymmetric unit, in which the heterocyclic thiazine rings in both molecules adopt half-chair conformations. The conformations about the C—C and C—N bonds in the central C—C—N—C chain in both molecules are all EZ. There are strong intramolecular O—H⋯O and N—H⋯N hydrogen bonds resulting in graph-set patterns S(6) and S(5) for the oxo and amino rings, in addition to intramolecular N—H⋯Cl interactions. In the crystal structure, molecules are linked by intermolecular O—H⋯O and N—H⋯O hydrogen bonds into chains along [100]
2-[(Methylsulfanyl)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
In the title molecule, C9H9NO3S2, the essentially planar benzisothiazole ring system and the C—S—C atoms of the methylsulfanyl side chain form an angle of 64.45 (7)°. The structure is devoid of any classical hydrogen bonding. However, weak non-classical inter- and intramolecular hydrogen bonds of the type C—H⋯O are present
2-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
All atoms of the title molecule, C8H7NO3S, except the two oxide O atoms and two H atoms of the methyl group, lie on a crystallographic mirror plane. The crystal structure is stabilized by weak inter- and intramolecular C—H⋯O hydrogen bonds
3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate
In the title compound, C29H27N3O4S·0.5C6H14, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of 35.76 (11)° and an intramolecular O—H⋯O hydrogen bond ocurs. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds. There is a half-molecule of hexane in the asymmetric unit lying about an inversion center. It is disordered over two sets of sites with occupancy factors 0.590 (9) and 0.410 (9)
3,4-Dimethyl-2-(2-oxo-2-phenylethyl)-2H,4H-pyrazolo[4,3-c][1,2]benzothiazine-5,5-dione
In the title molecule, C19H17N3O3S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.530 (5) and 0.229 (6) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The ethanone group lies at an angle of 3.8 (3)° with respect to the benzene ring, which lies almost perendicular to the pyrazole ring, with a dihedral between the two planes of 89.22 (11)°. Weak intermolecular C—H⋯O hydrogen-bonding interactions are present
2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)-2H-1λ6,2-benzothiazine-1,1-dione
In the title molecule, C24H18ClNO6S, the heterocyclic thiazine ring adopts a half chair conformation with the S and N atoms displaced by 0.318 (3) and 0.387 (3) Å, respectively, on the opposite sides from the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazin unit and methoxybenzoyl group are more or less coplanar, the dihedral angle between the mean planes of these rings being 12.37 (10)° while the chlorophenyl ring is inclined at 81.87 (4) and 73.30 (5)°, respectively, to these rings. The molecular structure is consolidated by intramolecular O—H⋯O and C—H⋯N interactions and the crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds
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