Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[(Z)-3-(4-Chloro-benzo-yl)-1,3-thia-zolidin-2-yl-idene]cyanamide.

ABSTRACT: The title compound, C(11)H(8)ClN(3)OS, was prepared by the reaction of N-cyano-imino-thia-zolidine, 2-amino-ethanethiol and triethyl-amine at 350?K. The dihedral angle between the two rings is 62.5?(8)°.

SUBMITTER: Wang JG

PROVIDER: S-EPMC2960110 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-[(Z)-3-(4-Chloro-benzo-yl)-1,3-thia-zolidin-2-yl-idene]cyanamide.

Wang Jian-Gang JG Huang Li-Hua LH Jian Fang-Fang FF

Acta crystallographica. Section E, Structure reports online 20081113 Pt 12

The title compound, C(11)H(8)ClN(3)OS, was prepared by the reaction of N-cyano-imino-thia-zolidine, 2-amino-ethanethiol and triethyl-amine at 350 K. The dihedral angle between the two rings is 62.5 (8)°. ...[more]

PMID: 21581297

Similar Datasets

(Z)-N-[3-(4-Bromo-benzo-yl)-1,3-thia-zolidin-2-yl-idene]cyanamide.

Project description:In the title compound, C(11)H(8)BrN(3)OS, the dihedral angle between the benzene and thia-zolidine rings is 63.4?(2)°. Inter-molecular C-H?N inter-actions help to stabilize the crystal structure.

| S-EPMC3011547 | 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

(Z)-N-{3-[(6-Chloro-pyridin-3-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene}cyanamide.

Project description:The asymmetric unit of the title compound, C(10)H(9)ClN(4)S, common name thia-cloprid, comprises two mol-ecules. In both mol-ecules, the thia-zolidine rings are almost planar (with r.m.s. deviations of 0.016 and 0.065?Å) and form dihedral angles of 73.36?(6) and 70.25?(8)° with the 2-chloro-pyridine rings. In the crystal, inter-molecular C-H?N hydrogen bonds links the mol-ecules into chains propagating in [[Formula: see text]01].

| S-EPMC3089287 | 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

(Z)-N-{3-[1-(4-Chloro-phen-yl)eth-yl]thia-zolidin-2-yl-idene}cyanamide.

Project description:The title compound, C(12)H(12)ClN(3)S, features a thia-zolyl ring having an envelope conformation with the -CH(2)- group bonded to the S atom forming the flap. The C=N double bond has a Z configuration. The crystal structure shows inter-molecular C-H?S hydrogen bonds.

| S-EPMC3007229 | 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

{3-[(2-Chloro-1,3-thia-zol-4-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene-amino}-formonitrile.

Project description:In the title compound, C(8)H(7)ClN(4)S(2), the dihedral angle between the thia-zolidine ring (r.m.s. deviation = 0.028?Å) and the thia-zole ring (r.m.s. deviation = 0.004?Å) is 74.74?(6)°. The formonitrile group is almost coplanar with the attached ring [C-N-C-N torsion angle = 167?(2)°.

| S-EPMC2983363 | biostudies-other

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

Project description: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.

| S-EPMC3009287 | biostudies-other

Crystal structures of 2,3-bis-(4-chloro-phen-yl)-1,3-thia-zolidin-4-one and trans-2,3-bis-(4-chloro-phen-yl)-1,3-thia-zolidin-4-one 1-oxide.

Project description:In the crystal structures of the title compounds, C15H11Cl2NOS, (1), and C15H11Cl2NO2S, (2), wherein (2) is the oxidized form of (1), the thia-zolidine ring is attached to two chloro-phenyl rings. The chloro-phenyl ring on the 2-carbon atom position points in the same direction as that of the S atom in (1), while in (2), the S atom points in the opposite direction. The O atom on the chiral S atom in (2) is trans to the chloro-phenyl ring on the 2-carbon. The chloro-phenyl ring planes in each structure are close to orthogonal, making dihedral angles of 78.61?(6) and 87.46?(8)° in (1) and (2), respectively. The thia-zolidine ring has a twisted conformation on the S-Cmethine bond in (1), and an envelope conformation with the S atom 0.715?(3)?Å out of the plane of other four atoms in (2). In the crystal of (1), mol-ecules are linked by C-H?O hydrogen bonds, as well as by slipped parallel ?-? inter-actions [inter-centroid distance = 3.840?(3)?Å] between inversion-related phenyl rings, forming sheets parallel to (001). In the crystal of (2), mol-ecules are linked via C-H?O and C-H?Cl hydrogen bonds, forming slabs parallel to (001).

| S-EPMC4350739 | biostudies-literature

N-(3-Octyl-4-oxo-1,3-thia-zolidin-2-yl-idene)benzamide.

Project description:In the title compound, C(18)H(24)N(2)O(2)S, the thia-zolidinone ring is almost coplanar [maximum atomic deviation = 0.017?(3)?Å], and is coplanar with the phenyl ring [dihedral angle = 0.62?(13)°]. The octyl group displays an extended conformation. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into supra-molecular chains along [210].

| S-EPMC3011722 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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