Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(4-fluoro-benz-yl)bis-(4-phenyl-5-sulfanyl-idene-4,5-dihydro-1,3,4-thio-diazole-2-thiol-ato)tin(IV).

ABSTRACT: In the title complex, [Sn(C(7)H(6)F)(2)(C(8)H(5)N(2)S(3))(2)], including the weak Sn-N inter-actions, the Sn(IV) atom is situated in a distorted trans-octa-hedral geometry, and the equatorial plane is defined by two chelating 4-phenyl-5-sulfanyl-idene-4,5-dihydro-1,3,4-thio-diazole-2-thiol-ate ligands. The apical positions are occupied by two C atoms of 4-fluoro-benzyl groups.

SUBMITTER: Li L

PROVIDER: S-EPMC3254343 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis(4-fluoro-benz-yl)bis-(4-phenyl-5-sulfanyl-idene-4,5-dihydro-1,3,4-thio-diazole-2-thiol-ato)tin(IV).

Li Lei L Zeng Suyuan S Yan Nana N

Acta crystallographica. Section E, Structure reports online 20111223 Pt 1

In the title complex, [Sn(C(7)H(6)F)(2)(C(8)H(5)N(2)S(3))(2)], including the weak Sn-N inter-actions, the Sn(IV) atom is situated in a distorted trans-octa-hedral geometry, and the equatorial plane is defined by two chelating 4-phenyl-5-sulfanyl-idene-4,5-dihydro-1,3,4-thio-diazole-2-thiol-ate ligands. The apical positions are occupied by two C atoms of 4-fluoro-benzyl groups. ...[more]

PMID: 22259377

Similar Datasets

Bis(4-fluoro-benz-yl-?C)bis-(3-methyl-sulfanyl-1,2,4-thia-diazole-5-thiol-ato-?N,S)tin(IV).

Project description:The mononuclear title molecule, [Sn(C(7)H(6)F)(2)(C(3)H(3)N(2)S(3))(2)], has 2 symmetry. The Sn(IV) atom, located on a twofold rotation axis, is in a skew trapezoidal-bipyramidal geometry, with the basal plane defined by two S,N-chelating 3-methyl-sulfanyl-1,2,4-thia-diazole-5-thiol-ate ligands. The apical positions are occupied by the C atoms of two 4-fluoro-benzyl groups.

| S-EPMC3238646 | biostudies-literature

Bis[(2-chloro-4-fluoro-benz-yl)triphenyl-phospho-nium] bis-(1,2,5-thia-diazole-3,4-dithiol-ato)nickelate(II).

Project description:The title ion-pair complex, (C(25)H(20)ClFP)(2)[Ni(C(2)N(2)S(3))(2)], was obtained by the direct reaction of (4-F,2-ClBzTPP)(+)·Br(-) [4-F,2-ClBzTPP(+) is (2-chloro-4-fluoro-benz-yl)triphenyl-phos-pho-nium], NiCl(2)·6H(2)O and Na(2)tdas (tdas(2-) is 1,2,5-thia-diazole-3,4-dithiol-ate) in methanol. The asymmetric unit of the title structure comprises one (4-F,2-ClBzTPP)(+) cation and half of an [Ni(tdas)(2)](2-) complex anion, with the Ni(II) ion situated on a center of symmetry, leading to a slightly distorted square-planar coordination of the latter. In the cation, the tetra-hedral angles around the P atom are nearly undistorted. In the crystal, the cations and anions are linked by C-H?S, C-H?N and C-H?Cl hydrogen bonds.

| S-EPMC3297212 | biostudies-literature

2,5-Bis[(3-chloro-benz-yl)sulfan-yl]-1,3,4-thia-diazole.

Project description:The complete mol-ecule of the title compound, C(16)H(12)Cl(2)N(2)S(3), is generated by crystallographic twofold symmetry, with the S atom of the thiadiazole ring lying on the rotation axis. The dihedral angle between the mean planes of the 1,3,4-thia-diazole and benzene rings is 87.19 (7)°. In the crystal, mol-ecules are linked by C-H⋯N inter-actions and short S⋯S contacts [3.3389 (9) Å] occur.

| S-EPMC3379226 | biostudies-literature

1-(2,4-Dichloro-benz-yl)pyridinium bis-(2-sulfanyl-idene-1,3-dithiole-4,5-dithiol-ato-?S,S')nickelate(III).

Project description:In the title compound, (C(12)H(10)Cl(2)N)[Ni(C(3)S(5))(2)], the Ni(III) atom is chelated by two bidentate 2-sulfanyl-idene-1,3-dithiole-4,5-dithiol-ate (dmit) dianions and shows a distorted square-planar geometry. The two dmit ligands are twisted with respect to each other by 3.21?(2)°. In the cation, the two aromatic groups linked by the methyl-ene bridging group form a dihedral angle of 68.09?(2)°. S?S [3.6212?(11) and 3.5573?(9)?Å] and Ni?S [3.566?(2)Å] inter-actions influence the arrangement of the anions in the crystal.

| S-EPMC3238590 | biostudies-literature

1-(3,4-Dichloro-benz-yl)pyridinium bis-(2-sulfanyl-idene-1,3-dithiole-4,5-dithiol-ato-κS,S')nickelate(III).

Project description:The title compound, (C(12)H(10)Cl(2)N)[Ni(C(3)S(5))(2)], is an ion-pair complex consisting of 1-(3,4-dichloro-benz-yl)pyridinium cations and [Ni(dmit)(2)] anions (dmit = 2-sulfanyl-idene-1,3-dithiole-4,5-dithiol-ate). In the anion, the Ni(III) ion exhibits a square-planar coordination involving four S atoms from two dmit ligands. In the crystal, weak S⋯S [3.368 (2) and 3.482 (3) Å], Ni⋯S [3.680 (2) Å] and Cl⋯S [3.491 (2) Å] inter-actions and C-H⋯S hydrogen bonds lead to a three-dimensional supra-molecular network.

| S-EPMC3246987 | biostudies-literature

Dimethyl-bis(3-methylsulfanyl-1,2,4-thia-diazole-5-thiol-ato)tin(IV).

Project description:In the title compound, [Sn(CH(3))(2)(C(3)H(3)N(2)S(3))(2)], the Sn(IV) atom is coordinated within a C(2)N(2)S(2) donor set that defines a skew-trapezoidal bipyramidal geometry in which the methyl groups lie over the weakly coordinated N atoms. Two independent mol-ecules comprise the asymmetric unit, each of which lies on a mirror plane that passes through the C(2)Sn unit.

| S-EPMC2970034 | biostudies-literature

[5-(4-Bromo-phenoxy-meth-yl)-1,3,4-thia-diazole-2-thiol-ato]triphenyl-tin(IV).

Project description:In title compound, [Sn(C(6)H(5))(3)(C(9)H(6)BrN(2)OS(2))], the Sn atom is five-coordinated and the 1,3,4-thia-diazole-2-thiol ligand acts as an S,N-bidentate chelating ligand. The five-coordinate Sn(IV) atom forms four primary bonds, three to the phenyl groups and one to the S atom. Thus, the title complex has a distorted cis-trigonal bipyramidal geometry with the S atom and two C atoms occupying the equatorial plane, whereas the N atom and another C atom are in axial positions. In addition, there is a weak intramolecular Sn⋯N interaction. The crystal structure involves weak intra-molecular C-H⋯N and inter-molecular C-H⋯Br hydrogen bonding.

| S-EPMC2977584 | biostudies-literature

1-(2-Fluoro-benz-yl)quinolinium bis-(2-sulfanylidene-1,3-dithiole-4,5-dithiol-ato-?S,S')nickelate(III).

Project description:The crystal structure of the title compound, (C(16)H(13)FN)[Ni(C(3)S(5))(2)], consists of Ni(III) complex anions and 1-(2-fluoro-benz-yl)quinolinium (fbq) cations. In the complex anion, the Ni(III) cation is chelated by two 2-sulfanylidene-1,3-dithiole-4,5-dithiol-ate (dmit) dianions in a distorted square-planar geometry; the two dmit mean planes are twisted with respect to each other at a dihedral angle of 8.44?(3)°. In the fbq cation, the dihedral angle between the benzene ring and the quinoline ring system is 80.57?(14)°. The centroid-centroid distance of 3.860?(5)?Å between benzene rings indicates ?-? stacking between adjacent fbq cations. The distance of 3.4958?(18)?Å between the S atom and the centroid of the pyridine ring suggests the existence of a lone-pair-aromatic inter-action between the anion and the cation. A short S?S contact [3.387?(2)?Å] is also observed in the crystal structure.

| S-EPMC3089345 | biostudies-literature

Bis[1-(4-chloro-benz-yl)pyridinium] bis-(1,2,5-thia-diazole-3,4-dithiol-ato)nickelate(II).

Project description:The asymmetric unit of the salt, (C(12)H(11)ClN)(2)[Ni(C(2)N(2)S(3))(2)], comprises one cation and a half of Ni(tdas)(2) (tdas = 1,2,5-thia-diazole-3,4-dithiol-ate) anion. The Ni(II) atom is located at a centre of inversion. The Ni(II) atom has a square-planar coordination with Ni-S distances of 2.2052?(4) and 2.1970?(5)?Å. In crystal, weak C-H?S and C-H?Ni contacts are observed between the anions and cations.

| S-EPMC3212200 | biostudies-literature

6-(4-Bromo-phen-yl)-2-(4-fluoro-benz-yl)imidazo[2,1-b][1,3,4]thia-diazole.

Project description:In the title compound, C(17)H(11)BrFN(3)S, the imidazothia-diazole and bromo-phenyl rings are individually almost planar, with maximum deviations of 0.0215?(4) and 0.0044?(4)?Å, respectively, and are inclined at an angle of 27.34?(3)° with respect to each other. The dihedral angle between the mean planes of the fluoro-benzyl and imidazothia-diazole rings is 79.54?(3)°. The crystal structure is stabilized by inter-molecular C-H?N inter-actions resulting in chains of mol-ecules along the b axis.

| S-EPMC3100000 | 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