Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(3-Oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetohydrazide.

ABSTRACT: In the title compound, C(10)H(11)N(3)O(2)S, the thia-zine ring exists in a conformation inter-mediate between twist-boat and half-chair. The dihedral angle between the mean plane of the thia-zine ring and the hydrazide group is 89.45?(13)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into (100) sheets and weak C-H?O inter-actions further consolidate the packing.

SUBMITTER: Saeed A

PROVIDER: S-EPMC3008126 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(3-Oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetohydrazide.

Saeed Azher A Mahmood Zaid Z Yang Shiyao S Ahmad Saeed S Salim Muhammad M

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

In the title compound, C(10)H(11)N(3)O(2)S, the thia-zine ring exists in a conformation inter-mediate between twist-boat and half-chair. The dihedral angle between the mean plane of the thia-zine ring and the hydrazide group is 89.45 (13)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into (100) sheets and weak C-H⋯O inter-actions further consolidate the packing. ...[more]

PMID: 21588642

Similar Datasets

2-(3-Oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetamide.

Project description:In the title compound, C(10)H(10)N(2)O(2)S, the thia-zine ring approximates to an envelope form with the S atom in the flap position. The amide group attached to the acetate group is almost perpendicular to the mean plane of the thia-zine ring [dihedral angle = 88.83 (8)°]. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. Further N-H⋯O and C-H⋯O hydrogen bonds link the dimers into a three-dimensional network.

| S-EPMC2983323 | biostudies-literature

Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetate.

Project description:In the crystal structure of the title compound, C(11)H(11)NO(3)S, the mol-ecules are linked by inter-molecular C-H⋯O hydrogen-bond inter-actions. The heterocyclic thia-zine ring adopts a conformation inter-mediate between twist and boat.

| S-EPMC3051955 | biostudies-literature

2-(3-Oxo-3,4-dihydro-2H-1,4-benzo-thia-zin-4-yl)acetic acid monohydrate.

Project description:In the title compound, C(10)H(9)NO(3)S·H(2)O, the thio-morpholine ring exists in a conformation inter-mediate between twist-boat and half-chair. An inter-molecular O-H?O hydrogen bond links the acid and water mol-ecules together. In the crystal packing, inter-molecular O-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2970497 | biostudies-literature

3,4-Dihydro-1,4-benzothia-zepin-5(2H)-one.

Project description:In the mol-ecule of the title compound, C(9)H(9)NOS, the seven-membered ring has a twist conformation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2915184 | biostudies-literature

2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothia-zin-2-yl)-N'-(2-thienylmethyl-idene)acetohydrazide.

Project description:In the title mol-ecule, C(18)H(17)N(5)O(3)S(2), the heterocyclic thia-zine ring adopts a twist boat conformation, with the S and N atoms displaced by 0.480?(7) and 0.205?(8)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The pyrazole and benzene rings are tilted at an angle of 10.9?(2)° with respect to one another. The crystal structure is stabilized by inter-molecular N-H?O and C-H?N hydrogen bonds, resulting in dimers forming nine-membered rings of graph-set motif R(2) (2)(9). In addition, inter-molecular C-H?O inter-actions result in chains of mol-ecules along the c axis, further consolidating the crystal packing.

| S-EPMC2979531 | biostudies-literature

N'-(2-Chloro-benzyl-idene)-2-(3,4-dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)acetohydrazide.

Project description:The asymmetric unit of the title compound, C(20)H(18)ClN(5)O(3)S, contains two independent mol-ecules with significantly different conformations of the heterocyclic thia-zine rings. In both mol-ecules, the thia-zine rings adopt half-chair conformations, with the S atoms displaced by 0.382?(3) and 0.533?(3)?Å and N atoms -0.351 and -0.275?Å, respectively, from the planes formed by the remaining ring atoms. The crystal structure is stabilized by weak inter-molecular N-H?O and C-H?O inter-actions.

| S-EPMC3050389 | biostudies-literature

(2Z,3Z)-3,4-Dihydro-2H-1,4-benzothia-zine-2,3-dione dioxime dihydrate.

Project description:In the mol-ecule of the title compound, C(8)H(11)N(3)O(4)S, the thia-zine ring adopts an envelope conformation. In the crystal structure, inter-molecular N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules.

| S-EPMC2962121 | biostudies-literature

3-(6-Fluoro-4-oxo-4H-chromen-3-yl)-3,4-dihydro-2H-1,2,4-benzothia-diazine-1,1-dione.

Project description:In the title compound, C(16)H(11)FN(2)O(4)S, the mean planes of the bicyclic chromone system and of the benzene ring of the benzothia-diazine derivative make a dihedral angle of 54.28?(5)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked into layers by N-H?O and C-H?O hydrogen bonds, generating an infinite two-dimensional network.

| S-EPMC3009151 | biostudies-literature

3-(6-Bromo-4-oxo-4H-chromen-3-yl)-3,4-dihydro-2H-1,2,4-benzothia-diazine-1,1-dione.

Project description:The mol-ecular structure of the title compound, C(16)H(11)BrN(2)O(4)S, is very similar to that of the previously reported fluoro analogue [al-Rashida et al. (2010 ?). Acta Cryst. E66, o2707]. The mean planes of the bicyclic chromone system and the benzene ring of the benzothia-diazine derivative make a dihedral angle of 58.23?(8)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked into layers by N-H?O and C-H?O hydrogen bonds, generating an infinite two-dimensional network.

| S-EPMC3011492 | biostudies-literature

4-(1H-Benzimidazol-2-ylmeth-yl)-2H-1,4-benzothia-zin-3(4H)-one.

Project description:In the title compound, C(16)H(13)N(3)OS, the thio-morpholine ring exists in a screw boat conformation. The angle between the benzimidazole ring system and the benzene ring fused to the thia-zine ring is 67.22?(6)°. In the crystal, mol-ecules form infinite chains along the a axis via inter-molecular N-H?N inter-actions. C-H?? inter-actions also contribute to the stability of the crystal structure.

| S-EPMC2979569 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data