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[2-(2,5-Dichloro-benz-yl)-4-hy-droxy-1,1-dioxo-2H-1,2-benzothia-zin-3-yl](phen-yl)methanone.

ABSTRACT: In the title mol-ecule, C(22)H(15)Cl(2)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.343?(5) and 0.402?(5)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The mol-ecular structure is consolidated by an intra-molecular O-H?O hydrogen bond, which generates an S(?) ring. In the crystal, the molecules are linked by C-H?O interactions into [010] chains.

SUBMITTER: Sattar N

PROVIDER: S-EPMC3344491 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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[2-(2,5-Dichloro-benz-yl)-4-hy-droxy-1,1-dioxo-2H-1,2-benzothia-zin-3-yl](phen-yl)methanone.

Sattar Nazia N Siddiqui Hamid Latif HL Ahmad Matloob M Akram Muhammad M Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the title mol-ecule, C(22)H(15)Cl(2)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.343 (5) and 0.402 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The mol-ecular structure is consolidated by an intra-molecular O-H⋯O hydrogen bond, which generates an S(?) ring. In the crystal, the molecules are linked by C-H⋯O interactions into [010] chains. ...[more]

PMID: 22590253

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(2-Bromo-phen-yl)(4-hy-droxy-1,1-dioxo-2H-1,2-benzothia-zin-3-yl)methanone.

Project description:In the title mol-ecule, C(15)H(10)BrNO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.554?(7) and 0.198?(8)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The mol-ecular structure is consolidated by intra-molecular O-H?O inter-actions and the crystal packing features N-H?O and C-H?O hydrogen bonds.

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(2-Chloro-phen-yl)(4-hy-droxy-1,1-dioxo-2H-1,2-benzothia-zin-3-yl)methanone.

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2-(3-Benzoyl-4-hy-droxy-1,1-dioxo-2H-1?,2-benzothia-zin-2-yl)-1-phenyl-ethanone.

Project description:In the title mol-ecule, C(23)H(17)NO(5)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.383?(3) and 0.473?(3)?Å, respectively, on opposite sides of the mean plane formed by the ring C atoms. The phenyl rings attached to carbonyl groups lie almost parallel to each other at a dihedral angle 7.43?(9)°, the distance between the centroids of the rings being 3.780?(1)?Å. The C(thia-zine)-C=O and O=C-CH(2) groups make dihedral angles of 37.56?(16) and 1.93?(18)°, respectively, with the phenyl groups to which they are attached. The crystal structure features O-H?O and C-H?O hydrogen bonds and further consolidated by C-H?? inter-actions; an intra-molecular O-H?O hydrogen bond is also present.

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2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)-N-(2-fluoro-benz-yl)acetamide.

Project description:In the title mol-ecule, C(20)H(19)FN(4)O(3)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S atom displaced by 0.668 (4) Å from the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined with respect to each other at a dihedral angle of 17.4 (3)°. The acetamide chain (O/N/C/C/C) linking the pyrazole and 2-fluoro-benzyl rings is essentially planar (r.m.s. deviation = 0.030 Å) and forms dihedral angles with the mean planes of these rings of 78.8 (2) and 78.89 (14)°, respectively. The crystal structure is stabilized by N-H⋯O and C-H⋯O hydrogen-bonding inter-actions, resulting in a six-membered ring with an R(2) (1)(6) motif, while C-H⋯O and C-H⋯F hydrogen-bonding inter-actions result in chains of mol-ecules lying along the c axis in a zigzag fashion.

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2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro-benz-yl)-3,4-dihydro-2H-1,2,4-benzothia-diazin-4-yl]acetic acid.

Project description:In the mol-ecule of the title compound, C(16)H(12)ClF(3)N(2)O(4)S, the thia-diazine ring adopts a half-chair conformation. The dihedral angle between the benzene ring of the benzothia-diazine ring system and trifluoro-phenyl group is 15.02 (7)°. In the crystal, centrosymmetrically related mol-ecules 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.

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2-[(Z)-1,1-Dioxo-2-(2,4,5-tri-fluoro-benz-yl)-3,4-di-hydro-2H-1,2-benzo-thia-zin-4-yl-idene]acetic acid.

Project description:In the title compound, C17H12F3NO4S, the heterocyclic thia-zine ring adopts a half-chair conformation and the dihedral angle between the benzene rings is 43.28?(9)°. The ?,?-unsaturated C=C group is inclined at an angle of 21.0?(3)° to the benzene ring of the benzo-thia-zine moiety. In the crystal, inversion dimers linked by pairs of carb-oxy-lic acid O-H?O hydrogen bonds generate R 2 (2)(8) loops. Each of the F atoms accepts a Ca-H?F (a = aromatic) hydrogen bond from an adjacent mol-ecule, resulting in (001) sheets.

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