Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Racemic (RS(C),SR(S))-(2-{[1-allyl-oxy-carbonyl-3-(methyl-sulfanyl)prop-yl]iminometh-yl}phenyl-?S,N,C)chlorido-platinum(II).

ABSTRACT: The title compound, [Pt(C(15)H(18)NO(2)S)Cl], was obtained by the cyclo-metallation reaction of cis-bis-(benzonitrile)dichlorido-platinum(II) with N-benzyl-idene-l-methio-nine allyl ester in refluxing toluene. The Pt(II) atom has a square-planar geometry and is tetra-coordinated by the Cl atom and the C, N and S atoms from the benzyl-idene methio-nine ester ligand. In the crystal structure, the S atoms show opposite chiral configurations with respect to the ?-carbon of the methio-nine, reducing steric repulsion between the methyl and allyl ester groups.

SUBMITTER: Isozaki K

PROVIDER: S-EPMC2971167 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Racemic (RS(C),SR(S))-(2-{[1-allyl-oxy-carbonyl-3-(methyl-sulfanyl)prop-yl]iminometh-yl}phenyl-κS,N,C)chlorido-platinum(II).

Isozaki Katsuhiro K Sato Akira A Miki Kazushi K

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

The title compound, [Pt(C(15)H(18)NO(2)S)Cl], was obtained by the cyclo-metallation reaction of cis-bis-(benzonitrile)dichlorido-platinum(II) with N-benzyl-idene-l-methio-nine allyl ester in refluxing toluene. The Pt(II) atom has a square-planar geometry and is tetra-coordinated by the Cl atom and the C, N and S atoms from the benzyl-idene methio-nine ester ligand. In the crystal structure, the S atoms show opposite chiral configurations with respect to the α-carbon of the methio-nine, reducing ...[more]

PMID: 21578143

Similar Datasets

(RS)-1-[5-(2-Chloro-prop-yl)indolin-1-yl]ethanone.

Project description:In the title compound, C(13)H(16)ClNO, the acetyl-indoline moiety is roughly planar (r.m.s. deviation = 0.0048?Å). The chloro-propyl group is out of the plane and is statistically disordered over two positions. Indeed, the Cl and CH(3) groups located on the stereogenic carbon exchange with each other. The whole crystal is a racemate. Non-classical C-H?O hydrogen bonds between symmetry-related benzene rings stabilize the crystal structure.

| S-EPMC3050396 | biostudies-literature

(RS/SR)-2-Oxo-4-phenyl-azetidin-3-yl acetate.

Project description:In the title compound, C(11)H(11)NO(3), a modified synthetic acetate derivative, the four memebered ?-lactam ring is roughly planar, with a maximum deviation of 0.21?(3)?Å, and makes a dihedral angle of 81.46?(14)° with the phenyl ring. In the crystal, a single N-H?O hydrogen bond links mol-ecules into a chain parallel to the a axis and thus stabilizes the structure. Although the absolute configuration could not be reliably determined, the compound corresponds to the diasteroisomer (RS/SR).

| S-EPMC2970417 | biostudies-literature

Chlorido{5-chloro-2-[2-(methyl-sulfanyl)phenyl-diazen-yl]phenyl}-platinum(II).

Project description:The title compound, [Pt(C(13)H(10)ClN(2)S)Cl], contains a Pt atom tetra-coordinated by a benzene C, a diazene N, a Cl and an S atom in an approximately square-planar geometry. The mol-ecules dimerize through a nonbonded S⋯S inter-action [S⋯S = 3.523 (18) Å]. There are no hydrogen bonds and the crystal packing is stabilized by four inter-molecular π-π inter-actions; the centroid-centroid distances are 3.804 (3), 3.638 (3), 3.804 (3) and 3.638 (3) Å, and the corresponding perpendicular distances are 3.369, 3.448, 3.406 and 3.466 Å.

| S-EPMC2960293 | biostudies-literature

Dimethyl [1-(1-allyl-5-iodo-1H-indol-3-yl)-3-hydroxy-prop-yl]phospho-nate.

Project description:In the title compound, C(16)H(21)INO(4)P, the mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen-bond inter-action. The crystal packing is stabilized by strong inter-molecular O-H ⋯ O hydogen-bonding inter-actions to form a zigzag packing arrangement.

| S-EPMC2960229 | biostudies-literature

2-[(4-Chloro-benz-yl)sulfanyl]-4-(2-methyl-prop-yl)-6-[3-(trifluoro-meth-yl)anilino]-pyrimidine-5-carbonitrile.

Project description:Three independent mol-ecules comprise the asymmetric unit of the title compound, C(23)H(20)ClF(3)N(4)S. The conformations of the mol-ecules are similar with the chloro-benzene and CF(3)-benzene rings almost perpendicular to, and almost co-planar with, the pyrimidinyl ring [range of dihedral angles = 80.36?(13)-88.07?(14) and 11.89?(14)-23.30?(14)°, respectively]; the benzene rings are roughly orthogonal to each other [64.81?(16)-72.16?(15)°]. In the crystal, two of the independent mol-ecules associate via weak N-H?N(cyano) hydrogen bonds and 12-membered {?HNC(3)N}(2) synthons; the third independent mol-ecule self-associates similarly but about a centre of inversion. The sample studied was found to be a non-merohedral twin and the minor twin component refined to 47.16?(7)%.

| S-EPMC3393324 | biostudies-literature

Crystal structure of 2-{[2-(3-phenyl-allyl-idene)hydrazin-1-yl]thio-carbonyl-sulfanylmeth-yl}pyridinium chloride.

Project description:In the title salt of an S-substituted di-thio-carbazate, C16H16N3S2 (+)·Cl(-), the dihedral angles between the almost planar (r.m.s deviation = 0.005?Å) central CN2S2 residue and the terminal pyridinium and phenyl rings are 80.09?(11) and 3.82?(11)°, respectively, indicating the cation has an L-shape; the amine H and thione S atoms are syn. The conformation about each of the imine [1.376?(3)?Å] and ethene [1.333?(4)?Å] bonds is E. The shortened C-C bond [1.444?(4)?Å] linking the double bonds is consistent with conjugation in this part of the mol-ecule. In the crystal, supra-molecular layers with a jagged topology are formed by charged-assisted amine-H?Cl(-) and pyridinium-N(+)-H?Cl(-) hydrogen bonds. The layers stack along the a axis with no specific directional inter-actions between them.

| S-EPMC4257274 | biostudies-literature

Carbonyl-chlorido(1-methyl-sulfanylpenta-1,3-dien-1-yl-5-yl-idene)bis-(triphenyl-phosphane)osmium(II).

Project description:The crystal structure of the title compound, [Os(C(6)H(7)S)Cl(C(18)H(15)P)(2)(CO)], confirms the formulation as an osmabenzene. There is a slightly distorted octa-hedral coordination environment at the Os(II) ion, with the triphenyl-phosphane ligands mutually trans and the chloride cis to the carbon bearing the -SMe substituent. Within the metallacyclic ring, the C-C distances are appropriate for aromatic bonds and the two Os-C distances are shorter than typical Os-C single bonds. The maximum deviation from the least-squares plane through the osmabenzene ring occurs for the carbon bearing the SMe substituent [0.1037?(18)?Å].

| S-EPMC2971168 | biostudies-literature

Potassium (1-methoxy-carbonyl-2-methyl-prop-2-en-2-yl-idene)azinate.

Project description:In the title compound, K(+)·C(6)H(8)NO(4) (-), the K(+) cations have a coordination number of seven and are surrounded by four bidentate azinate anions. The methyl-ene groups of the anions are always directed towards the coordinated potassium cations. The N-C-C-C torsion angle is 101.2?(2)°. The orthogonal non-conjugated nature of the salt confirms the supposed geometry and reactivity of this compound.

| S-EPMC2984059 | biostudies-literature

Methyl (Z)-2-chloro-3-(2-methoxy-carbonyl-phen-yl)prop-2-enoate.

Project description:In the title compound, C(12)H(11)ClO(4), the propenoate C=C bond is in the Z configuration. The propenoate C=O and C=C groups are essentially coplanar [C=C-C=O torsion angle = 172.4?(3)°] with the O atom synperiplanar to the Cl atom. However, the ? systems of the aromatic ring and chloro-propenoate substituent are not coplanar; the corresponding dihedral angle is 51.5?(1)°. The noncoplanarity is likely due to steric inter-actions between the propenoate H atom and the ortho-methoxy-carbonyl group on the aromatic ring. Even in the observed noncoplanar conformation, the ortho C=O to H distance (2.40?Å) is less than the sum of the van der Waals radii of O and H (2.65?Å).

| S-EPMC2979665 | biostudies-literature

3-(Prop-2-en-1-yl)-2-sulfanyl-idene-1,2,3,4-tetra-hydro-quinazolin-4-one.

Project description:The tetra-hydro-quinazoline fused-ring system of the title compound, C(11)H(10)N(2)OS, is approximately planar (r.m.s. deviation = 0.019?Å). In the crystal, adjacent mol-ecules are linked by N-H?O hydrogen bonds, forming a chain running along the b axis.

| S-EPMC3379384 | 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