Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Deng AX

PROVIDER: S-EPMC3238646 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Deng Ai-Xia AX Xie Qian Q Teng Mou-Yong MY Fu Guo-Jia GJ

Acta crystallographica. Section E, Structure reports online 20111109 Pt 12

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. ...[more]

PMID: 22199537

Similar Datasets

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

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

Project description: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.

| S-EPMC3254343 | biostudies-other

catena-Poly[[(3-methyl-sulfanyl-1,2,4-thia-diazole-5-thiol-ato)sodium]di-?-aqua-?O:O].

Project description:The crystal structure of the title compound, [Na(C(3)H(3)N(2)S(3))(H(2)O)(2)](n), features polymeric chains made up of O?O edge-shared NaSN(H(2)O)(4) units running along the b axis. The Na(+) ion and all non-H atoms of the thia-diazole ligand lie on a mirror plane.

| S-EPMC2980197 | 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

Tris(2-chloro-benz-yl)(1H-1,2,4-triazole-5-thiol-ato-?S)tin(IV)-tris-(2-chloro-benz-yl)(4H-1,2,4-triazole-3-thiol-ato-?S)tin(IV) (1/1).

Project description:Tris(2-chloro-benz-yl)tin hydroxide condenses with 3-mercapto-1,2,4-triazole to form the 1:1 cocrystal of the title compound, [Sn(C(7)H(6)Cl)(3)(C(2)H(2)N(3)S)]. The asymmetric unit contains two mol-ecules which differ only in the position of the nitro-gen-bound H atom of the triazole ring; one mol-ecule is linked to the other mol-ecule by an N-H?N hydrogen bond. In the second mol-ecule, two of the chloro-benzyl units are disordered over two positions in a 0.73?(1):0.27?(1) ratio. The Sn atom in both mol-ecules shows a distorted tetra-hedral SnSC(3) coordination.

| S-EPMC3008140 | 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

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

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

3,6-Bis(3,4,5-trimethoxy-phen-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

Project description:In the mol-ecule of the title compound, C(21)H(22)N(4)O(6)S, the planar central heterocyclic ring system is oriented with respect to the trimethoxy-phenyl rings at dihedral angles of 2.60?(5) and 3.60?(6)°. Intra-molecular C-H?N and C-H?S hydrogen bonds result in the formation of planar five- and six-membered rings. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules. There is a C-H?? contact between a methyl group and a trimethoxy-phenyl ring, and a ?-? contact between the central heterocyclic ring system and a trimethoxy-phenyl ring [centroid-centroid distance = 3.640?(1)?Å].

| S-EPMC2962044 | biostudies-literature

Bis(2-amino-pyridinium) 5,5'-disulfanediylbis(1,3,4-thia-diazole-2-thiol-ate) monohydrate.

Project description:In the crystal of the title compound, 2C(5)H(7)N(2) (+)·C(4)N(4)S(6) (2-)·H(2)O, inter-molecular N-H?S and N-H?N hydrogen bonds link four cations and two dianions into a centrosymmetric cluster. The crystal packing is further consolidated by ?-? inter-actions between the five- and six-membered rings of neighbouring clusters [centroid-centroid distances = 3.692?(3), 3.718?(3), 3.660?(3) and 3.696?(3)?Å] and via O-H?N, O-H?S and N-H?O hydrogen bonds involving the uncoordinated water mol-ecules.

| S-EPMC3100049 | 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