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

ABSTRACT: 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.

SUBMITTER: Wang XH

PROVIDER: S-EPMC3200959 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

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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

Butyl 3-oxo-2,3-dihydro-benzo[d][1,2]thia-zole-2-carboxyl-ate.

Project description:The title compound, C(12)H(13)NO(3)S, was synthesised by the reaction of benzo[d]isothia-zol-3(2H)-one with butyl alcohol in toluene. The benzoisothia-zolone ring system is almost planar with a mean deviation of 0.041?(1)?Å. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3239047 | 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 ?-? stacking inter-actions.

| S-EPMC2961185 | biostudies-literature

2-Ethyl-2,3-dihydro-1,2-benzothia-zole-1,1,3-trione.

Project description: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.

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Methyl 3-hydr-oxy-4-oxo-3,4-dihydro-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide monohydrate.

Project description:In the mol-ecule of the title compound, C(10)H(9)NO(6)S·H(2)O, the benzothia-zine ring adopts an envelope conformation. An intra-molecular N-H?O hydrogen bond results in the formation of a nonplanar five-membered ring which has a twisted conformation. In the crystal structure, inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds link the mol-ecules to form a three-dimensional network. There is a ?-? contact between the benzene rings [centroid-centroid distance = 3.972?(2)?Å].

| S-EPMC2959447 | biostudies-literature

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

Project description: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.

| S-EPMC3238948 | biostudies-literature

Ethyl 5-methyl-4-oxo-3-phenyl-2-propyl-amino-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxyl-ate.

Project description:The title compound, C(19)H(21)N(3)O(3)S, was synthesized via the aza-Wittig reaction of functionalized imino-phospho-rane with phenyl isocyanate under mild conditions. In the mol-ecule, the fused thienopyrimidine ring system is essentially planar, with a maximum deviation of 0.072 (2) Å, and makes a dihedral angle of 60.11 (9)° with the phenyl ring. An intra-molecular C-H⋯O hydrogen bond is present. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2969942 | biostudies-literature

Methyl 4-hydr-oxy-2-propyl-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the title compound, C(13)H(15)NO(5)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. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds, resulting in zigzag chains lying along the c axis.

| S-EPMC2972157 | biostudies-literature

Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(18)H(14)ClNO(3), the dihydro-quinolin-2-one ring system is almost planar (r.m.s. deviation = 0.033?Å). The carboxyl-ate plane and the phenyl group are twisted away from the dihydro-quinolin-2-one ring system by 50.3?(1) and 64.9?(1)°, respectively. In the crystal structure, inversion-related mol-ecules form R(2) (2)(8) dimers via pairs of N-H?O hydrogen bonds.

| S-EPMC2972051 | biostudies-literature

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