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2-(3-Oxo-2,3-dihydro-1,2-benzothia-zol-2-yl)acetic acid.

ABSTRACT: In the title compound, C(9)H(7)NO(3)S, the benzoisothia-zolone ring system is essentially planar, with a maximum deviation of 0.013 (2) Å. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, forming chains along [010]. In addition, weak inter-molecular C-H⋯O hydrogen bonds are present.

SUBMITTER: Wang XH

PROVIDER: S-EPMC3238948 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(6-Benzoyl-2-oxo-1,3-benzothia-zol-3-yl)acetic acid.

Project description:In the title compound, C(16)H(11)NO(4)S, the nine-membered fused ring is nearly planar, with maximum deviations from the mean plane of -0.022 (1) Å for the N atom and 0.011 (1) Å for the S atom, and makes a dihedral angle of 53.56 (7)° with the phenyl ring. The crystal structure is stabilized by O-H⋯O and C-H⋯O hydrogen-bonding inter-actions.

| S-EPMC2980097 | biostudies-literature

Ethyl 2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothia-zol-3-yl)acetate.

Project description:In the mol-ecule of the title compound, C(11)H(10)ClNO(3)S, the benzene and thia-zole rings are oriented at a dihedral angle of 1.25 (3)°. Intra-molecular C-H⋯O and C-H⋯Cl inter-actions result in the formation of two five-membered rings which both adopt envelope conformations.

| S-EPMC2969022 | biostudies-literature

Methyl 2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothia-zol-2-yl)acetate: a monoclinic polymorph.

Project description:In the title compound, C(10)H(9)NO(5)S, the fused ring system and the planar (r.m.s. deviation = 0.0037?Å) methoxy-carbonyl-methyl side chain form a dihedral angle of 84.67?(10)°. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds. A triclinic polymorph of the title compound is already known [Siddiqui et al. (2008 ?). Acta Cryst. E64, o859].

| S-EPMC2979295 | biostudies-literature

4-Methyl-N-(3-oxo-2,3-dihydro-1,2-benzisothia-zol-2-yl)benzene-sulfonamide.

Project description:In the title mol-ecule, C(14)H(12)N(2)O(3)S(2), the benzisothia-zolone ring system is essentially planar and forms a dihedral angle of 67.37?(6)° with the plane of the benzene ring. In the crystal structure, mol-ecules are linked via inter-molecular N-H?O and C-H?O hydrogen bonds to form chains parallel to the b axis.

| S-EPMC2968308 | biostudies-literature

2-(Benzothia-zol-2-yl-sulfanyl)-acetic acid.

Project description:In the title compound, C(9)H(7)NO(2)S(2), the benzine ring is essentially co-planar with the thia-zole ring, making a dihedral angle of 0.36?(7)°. In the crystal structure, mol-ecules are linked by inter-molecular O-H?N hydrogen bonds between the carb-oxy group and the thia-zole N atom into chains along [10]. The chains are assembled into a supermolecular layer structure by thia-zole ring S?S contacts [3.5679?(7)?Å].

| S-EPMC3009155 | biostudies-literature

Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-carboxyl-ate.

Project description:The title compound, C(11)H(11)NO(3)S, was synthesized by the reaction of benzo[d]isothia-zol-3(2H)-one with isopropanol in toluene. The benzoisothia-zolone ring system is essentially planar, with a mean deviation of 0.018?(2)?Å from the least-squares plane defined by the nine constituent atoms. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3200666 | biostudies-literature

Ethyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-carboxyl-ate.

Project description:The title compound, C(10)H(9)NO(3)S, was synthesized by the reaction of benzo[d]isothia-zol-3(2H)-one with ethyl carbonochloridate in toluol. The benzisothia-zolone ring system is approximately planar, with a maximum deviation from the mean plane of 0.020?(1)?Å for the N atom.

| S-EPMC3200781 | biostudies-literature

Propyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-carboxyl-ate.

Project description:The title compound, C(11)H(11)NO(3)S, was synthesized by the reaction of benzo[d]isothia-zol-3(2H)-one with propyl carbono-chloridate in toluene. The benzoisothiazolone ring system is approximately planar with a maximum deviation from the mean plane of 0.0226 (14) Å for the N atom. Weak inter-molecular C-H⋯O hydrogen bonding occurs in the crystal structure.

| S-EPMC3200959 | biostudies-literature

Methyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-acetate 1,1-dioxide.

Project description:The title mol-ecule, C(10)H(9)NO(5)S, is composed of two essentially planar units with a dihedral angle of 89.16 (6)° between them. In the crystal structure, there are weak inter-molecular C-H⋯O inter-actions resulting in dimeric pairs of mol-ecules about inversion centres and chains of mol-ecules extended along the a and c axes, thus stabilizing the structure. In addition, benzothia-zole rings lying parallel to each other with centroid-centroid distances of 3.679 (2) and 3.999 (2) Å indicate the existence of π-π stacking inter-actions.

| S-EPMC2961185 | biostudies-literature

4-Chloro-N-(4-chloro-phenyl-sulfon-yl)-N-(3-oxo-2,3-dihydro-1,2-benzisothia-zol-2-yl)benzene-sulfonamide.

Project description:In the title compound, C(19)H(12)Cl(2)N(2)O(5)S(3), the benzene rings of the chloro-phenyl-sulfonyl groups form a dihedral angle of 35.85?(8)° and are inclined at angles of 23.51?(6) and 59.22?(6)° with respect to the essentially planar benzisothia-zole ring system [maximum deviation = 0.030?(2)?Å]. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond. In the crystal packing, mol-ecules are linked into chains parallel to the a axis by inter-molecular C-H?O hydrogen bonds and ?-? stacking inter-actions, with centroid-centroid distances of 3.592?(5)?Å.

| S-EPMC2968287 | biostudies-literature

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