Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-tert-butyl-chlorido(pyrrolidine-1-dithio-carboxyl-ato-κS,S')tin(IV).

ABSTRACT: The title compound, [Sn(C(4)H(9))(2)(C(5)H(8)NS(2))Cl], contains two mol-ecules in the asymmetric unit, with similar conformations. In both mol-ecules, the Sn atom adopts a distorted trigonal-bipyramidal geometry arising from two C atoms, one Cl atom and two S atoms from the bidentate dithio-carbamate ligand, with one Sn-S bond much longer than the other. One C atom of the pyrrolidine ring is disordered equally over two sites.

SUBMITTER: Li F

PROVIDER: S-EPMC2914963 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-tert-butyl-chlorido(pyrrolidine-1-dithio-carboxyl-ato-κS,S')tin(IV).

Li Fahui F Li Yantuan Y Harrison William T A WT Wang Weijie W Feng Yanping Y

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The title compound, [Sn(C(4)H(9))(2)(C(5)H(8)NS(2))Cl], contains two mol-ecules in the asymmetric unit, with similar conformations. In both mol-ecules, the Sn atom adopts a distorted trigonal-bipyramidal geometry arising from two C atoms, one Cl atom and two S atoms from the bidentate dithio-carbamate ligand, with one Sn-S bond much longer than the other. One C atom of the pyrrolidine ring is disordered equally over two sites. ...[more]

PMID: 21200655

Similar Datasets

Tricyclo-hexyl(piperidine-1-dithio-carboxyl-ato-κS)tin(IV).

Project description:In the title compound, [Sn(C(6)H(11))(3)(C(6)H(10)NS(2))], the Sn(IV) atom is tetra-coordinated by three C atoms from cyclo-hexyl groups and one S atom from a piperidine-dithio-carboxyl-ate anion. The coordination geometry is distorted tetra-hedral, with Sn-C bond lengths in the range 2.133 (6)-2.188 (6) Å and with an Sn-S bond length of 2.4516 (19) Å. The nonbonded S atom of the piperidine-dithio-carboxyl-ate anion makes an Sn⋯S contact of 3.174 (3) Å.

| S-EPMC2961956 | biostudies-literature

Di-tert-butyl-chlorido(N,N-dibenzyl-dithio-carbamato)tin(IV).

Project description:The Sn(IV) atom in the title diorganotin dithio-carbamate, [Sn(C(4)H(9))(2)(C(15)H(14)NS(2))Cl], is penta-coordinated by an asymmetrically coordinating dithio-carbamate ligand, a Cl atom and two C atoms of the Sn-bound tert-butyl groups. The resulting C(2)ClS(2) donor set defines a coordination geometry inter-mediate between square pyramidal and trigonal bipyramidal with a slight tendency towards the former.

| S-EPMC3052046 | biostudies-literature

Di-tert-butyl-bis(N-isopropyl-N-methyl-dithio-carbamato-κS,S')tin(IV).

Project description:The dithio-carbamate anions in the title compound, [Sn(C(4)H(9))(2)(C(5)H(10)NS(2))(2)], chelate to the Sn(IV) atom, which is six-coordinated in a skew-trapezoidal-bipyramidal geometry. The mol-ecule lies across a twofold rotation axis. The crystal studied was a non-merohedral twin, the ratio of the twin components being 0.82 (1):0.18 (1).

| S-EPMC2983955 | biostudies-literature

(N-Butyl-N-phenyl-dithio-carbamato-κS)triphenyl-tin(IV).

Project description:The title compound, [Sn(C(6)H(5))(3)(C(11)H(14)NS(2))], features a tetra-hedrally coordinated Sn atom, as the dithio-carbamate ligand coordinates in a monodentate fashion. Due to the proximity of the non-coordinating thione S atom, distortions from ideal tetra-hedral geometry about the metal atom are evident with the widest C-Sn-S angle being 117.26 (5)°. In the crystal, mol-ecules are linked by C-H⋯S inter-actions, which generate helical supra-molecular chains along the b axis.

| S-EPMC3089335 | biostudies-literature

Triphen-yl(pyrrolidine-1-carbodi-thio-ato-κS)tin(IV).

Project description:In the title compound, [Sn(C6H5)3(C5H8NS2)], the Sn(IV) atom adopts a distorted SnC3S tetra-hedral coordination geometry [spread of bond angles = 94.43 (7)-120.74 (7)°]. A short intra-molecular Sn⋯S contact [3.0270 (9) Å] occurs and two intra-molecular C-H⋯S inter-actions help to establish the conformation. Three of the methyl-ene groups of the pyrrolidine-1-carbodi-thio-ate ligand are disordered over two sets of sites of equal occupancy. In the crystal, very weak C-H⋯S inter-actions link the mol-ecules into a three-dimensional network, with both S atoms acting as acceptors.

| S-EPMC3884390 | biostudies-literature

Di-n-butyl-bis(N-n-butyl-N-ethyl-dithio-carbamato-κS)tin(IV).

Project description:The Sn atom in the title compound, [Sn(C(4)H(9))(2)(C(7)H(14)NS(2))(2)], exists in a tetra-hedral C(2)S(2)Sn coordination geometry. The geometry is distorted towards skew-trapezoidal-bipyramidal owing to the proximity of the double-bond S atoms [Sn-S = 2.521 (2) and Sn⋯S = 2.933 (2) Å]. The Sn atom lies on a special position of mm2 site symmetry and the tin-bound n-butyl chain is disordered about a mirror plane. The ethyl and n-butyl groups of the dithio-carbamate unit are disordered about another mirror plane.

| S-EPMC2977630 | biostudies-literature

Tetra-n-butyl-ammonium iodido(pyrrolidine-1-carbodithio-ato-κS,S')(tris-tert-butoxy-silanethiol-ato-κS)cadmate(II).

Project description:In the anion of the title compound, (C(16)H(36)N)[Cd(C(5)H(8)NS(2))(C(12)H(27)O(3)SSi)I], the Cd atom is four-coordinated by S,S'-chelating dithio-carbamate, S-donating silanethiol-ate and iodide ligands in a distorted tetrahedral environment . Inter-molecular C-H⋯ S and C-H⋯I inter-actions between cations and anions are present. Two C atoms of a tert-butyl group are disordered over two positions; the site occupancies are ca 0.65 and 0.35.

| S-EPMC2961457 | biostudies-literature

Di-n-butyl-bis-(N-ethyl-N-phenyl-dithio-carbamato-κS)tin(IV).

Project description:The title compound, [Sn(C(4)H(9))(2)(C(9)H(10)NS(2))(2)], features a tetra-hedrally coordinated Sn(IV) atom; the dithio-carbamate ligands coordinate in a monodentate fashion, accompanied by two n-butyl chains. The non-coordinating thione S atoms are each proximate to the Sn(IV) atom [3.0136 (7) and 2.9865 (8) Å], giving rise to distortions from the ideal geometry as evident in the wide C-Sn-C bond angle of 139.06 (12) °. In the crystal, C-H⋯S inter-actions lead to the formation of a linear supra-molecular chain along the b axis. The chains are aligned into layers by C-H⋯π inter-actions, and the layers stack along [001]. One of the ethyl groups is statistically disordered over two sets of sites.

| S-EPMC3254340 | biostudies-literature

Bis(N-benzyl-N-isopropyl-dithio-carbamato-κS)di-n-butyl-tin(IV).

Project description:The Sn atom in the title compound, [Sn(C(4)H(9))(2)(C(11)H(14)NS(2))(2)], exists in a tetra-hedral C(2)S(2)Sn coordination geometry. The geometry is distorted towards skew-trapezoidal-bipyramidal owing to the proximity of the double-bonded S atoms. The C(2)Sn angles range from 129.0 (2) to 136.9 (2)°, the covalent Sn-S lengths from 2.529 (1) to 2.544 (1) Å, and the dative Sn←S lengths from 2.831 (1) to 3.042 (1) Å in the five independent mol-ecules comprising the asymmetric unit. Two of the butyl groups were modelled over two positions of equal occupancy. All butyl groups were refined with distance restraints.

| S-EPMC2977631 | biostudies-literature

(N-sec-Butyl-N-n-propyl-dithio-carbamato-κS,S')triphenyl-tin(IV).

Project description:The Sn atom in the title compound, [Sn(C(6)H(5))(3)(C(8)H(16)NS(2))], is penta-coordinated by two S atoms, derived from an asymmetrically coordinating dithio-carbamate ligand, and three ipso-C atoms. The coordination geometry is inter-mediate between square-pyramidal and trigonal-bipyramidal, with a leaning towards the latter. The presence of close intra-molecular C-H⋯S contacts preclude the S atoms from forming significant inter-molecular inter-actions. Rather, mol-ecules are consolid-ated in the crystal structure by C-H⋯π inter-actions.

| S-EPMC3007978 | 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