Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Z)-N-[3-(Phenyl-sulfon-yl)thia-zolidin-2-yl-idene]cyanamide.

ABSTRACT: In the title compound, C(10)H(9)N(3)O(2)S(2), the dihedral angle between the benzene and thia-zolidine rings is 79.8?(2)°. Inter-molecular C-H?N and C-H?O inter-actions help to stabilize the crystal structure.

SUBMITTER: Hou J

PROVIDER: S-EPMC3009287 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(Z)-N-[3-(Phenyl-sulfon-yl)thia-zolidin-2-yl-idene]cyanamide.

Hou Jian J

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

In the title compound, C(10)H(9)N(3)O(2)S(2), the dihedral angle between the benzene and thia-zolidine rings is 79.8 (2)°. Inter-molecular C-H⋯N and C-H⋯O inter-actions help to stabilize the crystal structure. ...[more]

PMID: 21589053

Similar Datasets

2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)malononitrile.

Project description:In the title compound, C12H7N3OS, the essentially planar thia-zole ring (r.m.s. deviation = 0.022?Å) forms dihedral angles of 84.88?(9) and 1.8?(3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003?Å), respectively. The mol-ecule has approximate local Cs symmetry. In the crystal, molecules are linked via C-H?N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63?(1):0.37?(1) domain ratio.

| S-EPMC3588553 | biostudies-literature

5-Benzyl-idene-3-phenyl-2-phenyl-imino-1,3-thia-zolidin-4-one.

Project description:The title compound, C(22)H(16)N(2)OS, is a chalcone analog with a thia-zolidinone core that was synthesized as a potential cytotoxic and anti-cancer agent. The structure is commensurately modulated by unit-cell doubling along the direction of the a axis of the cell. The two crystallographically independent mol-ecules are differerentiated by the dihedral angle between the mean planes of the benzyl-idene phenyl group against the thia-zolidin-4-one moiety, which is 5.01?(7)° in one mol-ecule, and 17.41?(6)° in the other. The two mol-ecules are otherwise close to being indistinguishable and are related by crystallographic pseudo-translation. The two mol-ecules are not planar but are slightly bent with the benzyl-idene and phenyl-imino substituents being bent upwards with respect to the center planes of the two mol-ecules. The degree of bending of the two halves of the thia-zolidin-4-one moieties (defined as the planes that inter-sect at the S atom) are 11.08?(7) and 15.88?(7)°. Packing of the mol-ecules is facilitated by C-H?? inter-actions and slipped ?-? stacking between one of the phenyl rings and a neighboring ethylene ? system [distance between the centroid of the ethylene group and the closest phenyl C atom = 3.267?(2)?Å, Cg(phenyl)?Cg(ethylene) = 3.926?Å].

| S-EPMC3152016 | biostudies-literature

(Z)-2-(1,3-Thia-zolidin-2-yl-idene)cyan-amide.

Project description:In the title compound, C(4)H(5)N(3)S, the tdihydrothiazole ring is almost planar, the maximum and minimum deviations being 0.188?(2)?Å and 0.042?(3)?Å, respectively. The crystal structure involves intermolecular N-H?N hydrogen bonds.

| S-EPMC3007512 | biostudies-literature

Methyl (2Z)-((2Z)-2-{(2E)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)ethano-ate.

Project description:The asymmetric unit of the title compound, C21H19N3O3S, contains two independent mol-ecules. In one mol-ecule, the 1,3-thia-zolidine ring forms dihedral angles of 86.19?(8) and 8.37?(8)° with the phenyl and benzene rings, respectively. The corresponding dihedral angles in the other mol-ecule are 69.60?(7) and 14.08?(7)°. The dihedral angle between the phenyl and benzene rings is 84.70?(8)° in one mol-ecule and 69.62?(8)° in the other. In the crystal, mol-ecules pack in layers approximately parallel to (10-2). There are weak C-H?O hydrogen bonds within these layers. Further weak C-H?O hydrogen bonding occurs between the layers to form a three-dimensional network. A weak C-H?? inter-action is also observed.

| S-EPMC3884445 | biostudies-literature

(Z)-N-(3-Nicotinoyl-1,3-thia-zolidin-2-yl-idene)cyanamide.

Project description:In the title compound, C(10)H(8)N(4)OS, the dihedral angle between the pyridine and thia-zolidine rings is 52.5?(5)°. Inter-molecular C-H?N inter-actions help to stabilize the crystal structure.

| S-EPMC2979225 | biostudies-literature

(E)-Ethyl 2-cyano-2-(thia-zolidin-2-yl-idene)acetate.

Project description:The title compound, C(8)H(10)N(2)O(2)S, was prepared by the reaction of 2-cyano-3,3-bis-(methyl-sulfan-yl)acrylate and 2-amino-ethanethiol at 350?K. The mol-ecular structure and packing are stabilized by N-H?O hydrogen-bond inter-actions. All the non-H atoms are nearly in the same plane with the maximum deviation being 0.08?Å.

| S-EPMC2959598 | biostudies-literature

Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-yl-idene}-1,3-thia-zolidin-5-yl-idene)acetate.

Project description:In the title compound, C22H19N3O3S, the six-membered ring of the 1,2,3,4-tetra-hydro-naphthalene ring system adopts an envelope conformation with the central CH2 C atom as the flap. The mol-ecular conformation is stabilized by an S⋯O contact, forming a pseudo-five-membered ring. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds into chains propagating along [102].

| S-EPMC3998598 | biostudies-literature

(Z)-N-{3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene}cyanamide.

Project description:In the title compound, C(8)H(7)ClN(4)S(2), the thia-zole ring is essentially planar [r.m.s. deviation = 0.0011 (2) Å] and conformation of the thia-zolidine ring is twisted on the C-C bond. The C=N bond has a Z configuration.

| S-EPMC3238956 | biostudies-literature

2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)propanedi-nitrile.

Project description:In the title compound, C12H7N3OS, the five-membered 1,3-thia-zolidine ring is nearly planar [maximum deviation = 0.032?(2)?Å] and makes a dihedral angle of 84.14?(9)° with the phenyl ring. In the crystal, mol-ecules are linked by C-H?N hydrogen bonds into infinite chains along [-101]. C-H?? inter-actions contribute to the arrangement of the mol-ecules into layers parallel to (101).

| S-EPMC3793800 | biostudies-other

(5S)-5-Methyl-3-phenyl-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Project description:In the title mol-ecule, C(10)H(9)NOS(2), the 2-sulfanyl-idene-thia-zolidin-4-one mean plane and phenyl ring form a dihedral angle of 81.7?(1)°. In the crystal, C-H?? inter-actions link mol-ecules into helical chains in [010].

| S-EPMC3254396 | 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