133 research outputs found

    N-Benzyl-4-hy­droxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothia­zine-3-carboxamide

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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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