2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ6,2-benzothiazole-1,1,3-trione
نویسندگان
چکیده
The asymmetric unit of the title compound, C(15)H(10)BrNO(4)S, contains two different conformers in which the benzisothia-zole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å. The mean planes of the benzene rings form dihedral angles 70.49 (13) and 72.79 (11)° with the benzisothia-zole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two mol-ecules. The crystal structure is stabilized by π-π inter-actions between the benzene rings of the benzisothia-zole moieties of one mol-ecule and bromo-benzene rings of the other mol-ecule, with distances between the ring centroids of 3.599 (3) and 3.620 (3) Å, respectively. The crystal packing is further consolidated by pairs of weak inter-molecular C-H⋯O hydrogen bonds, which form inversion dimers.
منابع مشابه
2-[2-(2-Chlorophenyl)-2-oxoethyl]-2,3-dihydro-1λ6,2-benzothiazole-1,1,3-trione
The asymmetric unit of the title compound, C(15)H(10)ClNO(4)S, contains two independent conformers wherein the 2-chloro-phenyl group in one is rotated by approximately 180° compared to the other mol-ecule. This affects the S-N-C-C(=O) and N-C-C(=O)-C torsion angles giving vlaues of -87.0 (2) and 158.7 (2)° in one mol-ecule and -104.3 (2) and -173.4 (2)° in the other. The benzisothia-zole ring s...
متن کامل2-Ethyl-2,3-dihydro-1,2-benzothiazole-1,1,3-trione
In the title mol-ecule, C(9)H(9)NO(3)S, the bond lengths and angles fall within normal ranges. All nine ring atoms almost lie in a common plane (r.m.s. deviation 0.021 Å). In the crystal, symmetry-related mol-ecules are linked via C-H⋯O hydrogen bonds, forming a three-dimensional network.
متن کاملPropan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate
In the title mol-ecule, C(12)H(13)NO(5)S, the benzisothia-zole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the -C-C(=O)-O-C- sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (7)° with the benzisothia-zole ring system. In the crystal, weak C-H⋯O hydrogen bonds involving me...
متن کامل2,3-Dihydro-1λ6,2-benzothiazine-1,1,4-trione
In the title compound, C(8)H(7)NO(3)S, the benzene ring is oriented at a dihedral angle of 69.25 (7)° to the S and O atoms of the sulfonyl group. The heterocyclic ring approximates to an envelope, with the N atom in the flap position. In the crystal, mol-ecules are linked by N-H⋯O(c) (c = carbon-yl) hydrogen bonds, forming C(5) chains along [001]. Two R(2) (2)(10) loops arise from pairs of C-H⋯...
متن کامل3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1,4-trione
In the title mol-ecule, C(24)H(19)NO(6)S, the heterocyclic thia-zine 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 benzothia-zine unit and the meth-oxy-phenyl group are almost coplanar, with the dihedral angle between the mean plan...
متن کامل