63 research outputs found
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
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
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
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-Saccharinylmethyl ether
In the title molecule [systematic name: 1,1,1′,1′-tetraoxo-2,2′-(oxydimethylene)bi(1,2-benzothiazol-3-one)], C16H12N2O7S2, the benzisothiazole ring systems are individually planar [maximum deviations of 0.0497 (13) and 0.0195 (19) Å] and their mean planes are inclined at a dihedral angle of 62.76 (4)°. The crystal structure is stabilized by weak intermolecular C—H⋯O interactions. Two O atoms bonded to two S atoms and four aryl H atoms belonging to two symmetry-related molecules lying about an inversion center form a hydrogen-bonded 10-membered ring with graph-set notation R
4
2(10)
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
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]
4-Hydroxy-2-methyl-1,1-dioxo-2H-1λ6,2- benzothiazine-3-carboxylic acid hemihydrate
In the title compound, C10H9NO5S·0.5H2O, two geometrically different organic molecules are present. The benzene rings and the carboxylate groups are oriented at dihedral angles of 13.44 (4) and 21.15 (18)°. In both molecules, an intramolecular O—H⋯O hydrogen bond generates an S(6) ring. In the crystal, both moleucles form inversion dimers linked by pairs of O—H⋯O hydrogen bonds to generate R
2
2(8) loops. The dimers are consolidated into chains extending along [100] by bridging O—H⋯O hydrogen bonds from the water molecule. A weak C—H⋯O hydrogen bond also occurs
2,2′-(4-Methyl-4H-1,2,4-triazole-3,5-diyl)dibenzenesulfonamide
In the title compound, C15H15N5O4S2, the dihedral angles between the central 1,2,4-triazole ring and the pendant benzene rings are 55.61 (10) and 68.59 (10)°; the dihedral angle between the benzene rings is 63.66 (9)°. Intramolecular N—H⋯N and N—H⋯O hydrogen bonds generate S(7) and S(12) rings, respectively. In the crystal, sheets extending in the (101) plane arise, with the molecules linked by C—H⋯O, N—H⋯N and N—H⋯O interactions. A C—H⋯π interaction further consolidates the structure
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