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

ABSTRACT: 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.

SUBMITTER: Sattar N

PROVIDER: S-EPMC3344176 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20120331 Pt 4

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. ...[more]

PMID: 22606179

Similar Datasets

(2-Chloro-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)ClNO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.527?(7) and 0.216?(7)?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 inter-action and the crystal packing is stabilized by N-H?O and C-H?O hydrogen bonds.

| S-EPMC3344465 | biostudies-literature

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

Project description: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.

| S-EPMC3344491 | biostudies-literature

3-[(3-Benzoyl-4-hy-droxy-1,1-dioxo-2H-1?,2-benzothia-zin-2-yl)meth-yl]benzo-nitrile.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(23)H(17)N(2)O(4)S, with significant differences in their conformations, e.g. the benzene rings of the benzothia-zine and benzonitrile units are inclined at 28.19?(10) and 17.89?(7)° in the two mol-ecules, with the centroids of the rings separated by 3.975?(2) and 3.637?(2)?Å, respectively. Moreover, the N-C-C-C torsion angles involving the benzoyl group are 14.3?(5) and 8.2?(5)° in the two mol-ecules, showing different degrees of rotation of this group. In both mol-ecules, the heterocyclic thia-zine rings adopt half-chair conformations, with the S and N atoms displaced by 0.427?(6) and 0.365?(6)?Å, respectively, in one mol-ecule and by 0.356?(6) and 0.432?(6)?Å, respectively, in the other, on opposite sides of the mean planes formed by the remaining ring atoms. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds and further consolidated by intra-molecular O-H?O hydrogen bonds.

| S-EPMC3254442 | biostudies-literature

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.

| S-EPMC3254443 | biostudies-literature

1-(4-Chloro-phen-yl)-2-[4-hy-droxy-3-(3-meth-oxy-benzo-yl)-1,1-dioxo-2H-1?(6),2-benzothia-zin-2-yl]ethanone.

Project description:In the title mol-ecule, C(24)H(18)ClNO(6)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.406?(5) and 0.444?(5)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The meth-oxy-benzoyl and the chloro-phenyl rings lie roughly parallel to each other, with a dihedral angle between the mean planes of these rings of 8.86?(10)°. The mol-ecular structure is consolidated by intra-molecular O-H?O and C-H?O inter-actions and the crystal packing is stabilized by inter-molecular O-H?O and C-H?Cl hydrogen bonds.

| S-EPMC3344017 | biostudies-literature

(4-Hydr-oxy-1,1-dioxo-2H-1,2-benzothia-zin-3-yl)(3-methoxy-phen-yl)methanone.

Project description:In the title compoud, C(16)H(13)NO(5)S, the heterocyclic thia-zine ring adopts a twist boat conformation with the S and N atoms displaced by 0.339?(5) and 0.322?(4)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. An intra-molecular O-H?O inter-action is present, forming a five-membered ring. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds, which result in chains along the b axis.

| S-EPMC2979156 | biostudies-other

N'-[(E)-1-(4-Bromo-phen-yl)ethyl-idene]-4-hy-droxy-2-methyl-1,1-dioxo-2H-1,2-benzothia-zine-3-carbohydrazide.

Project description:The six-membered heterocycle in the title compound, C(18)H(16)BrN(3)O(4)S, adopts a sofa conformation. Intra-molecular N-H?N and O-H?O hydrogen bonds stabilize the mol-ecular conformation by forming a five- and a six-membered ring, respectively. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds.

| S-EPMC3201552 | biostudies-literature

2-[1,1-Dioxo-2-(2,4,5-trifluoro-benz-yl)-2H-1,2-benzothia-zin-4-yl]acetic acid.

Project description:In the title compound, C(17)H(12)F(3)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and the N atoms displaced by -0.608?(3) and 0.105?(3)?Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is 36.63?(8)° and the acetic acid group is inclined at right angles [89.78?(8) °] to the mean plane formed by the C atoms of the thia-zine ring. The crystal structure features O-H?O and C-H?O hydrogen bonds.

| S-EPMC3344496 | biostudies-literature

1-(4-Hydr-oxy-2-methyl-1,1-dioxo-2H-1,2-benzothia-zin-3-yl)ethanone.

Project description:In the title compound, C(11)H(11)NO(4)S, the thia-zine ring adopts a distorted half-chair conformation. The enolic H atom is involved in an intra-molecular O-H?O hydrogen bond, forming a six-membered ring. Mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds, resulting in chains lying along the b axis.

| S-EPMC2961329 | biostudies-literature

Methyl 4-hy-droxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothia-zine-3-carboxyl-ate.

Project description:In the crystal structure of the title mol-ecule, C(13)H(15)NO(5)S, the S and N atoms of the thia-zine ring exihibit the maximum deviations from the least-squares plane of 0.3008?(6) and 0.3280?(7)?Å, respectively. The ring therefore adopts a half chair conformation. The thia-zine ring is twisted by an angle of 13.29?(7)° with respect to the aromatic ring. The isopropyl substituent is oriented at a dihedral angle of 53.2?(12)° with respect to the thia-zine ring. An intra-molecular O-H?O hydrogen bond occurs. Inter-molecular hydrogen bonding is observed in the crystal structure.

| S-EPMC3152111 | biostudies-literature

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