Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(N-Benzyl-N-isopropyl-dithio-carbamato)chloridodiphenyl-tin(IV).

ABSTRACT: The Sn(IV) atom in the title organotin dithio-carbamate, [Sn(C(6)H(5))(2)(C(11)H(14)NS(2))Cl], is penta-coordinated by an asymmetrically coordinating dithio-carbamate ligand, a Cl and two ispo-C atoms of the Sn-bound phenyl 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 latter. The formation of close intra-molecular C-H⋯Cl and C-H⋯S contacts precludes the Cl and S atoms from forming significant inter-molecular contacts. The presence of C-H⋯π contacts leads to the formation of supra-molecular arrays that stack along the b axis.

SUBMITTER: Abdul Muthalib AF

PROVIDER: S-EPMC3007920 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(N-benzyl-N-isopropyl-dithio-carbamato-?S)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-other

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

Bis(N-isopropyl-N-methyl-dithio-carbamato-?S,S')diphenyl-tin(IV).

Project description:The dithio-carbamate anions in the title compound, [Sn(C(6)H(5))(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.

| S-EPMC2983838 | biostudies-other

(N-Ethyl-N-phenyl-dithio-carbamato-?S)triphenyl-tin(IV).

Project description:The title compound, [Sn(C(6)H(5))(3)(C(9)H(10)NS(2))], has two independent mol-ecules in the asymmetric unit and each features a tetra-hedrally coordinated Sn(IV) atom as the dithio-carbamate ligand coordinates in a monodentate fashion. As the non-coordinating thione S atom is proximate to the Sn atom [Sn?S(thione) = 3.1477?(6) and 2.9970?(5)?Å for the independent mol-ecules], distortions from the ideal geometry are evident [the widest angle being 120.48?(5)°]. The most notable feature of the crystal packing is the formation of C-H?? inter-actions that lead to the formation of supra-molecular layers parallel to ([Formula: see text]2[Formula: see text]).

| S-EPMC3254327 | biostudies-literature

(N-Butyl-N-phenyl-dithio-carbamato-?S)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

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

Redetermination of tetra-kis(N,N-diethyl-dithio-carbamato)tin(IV).

Project description:The crystal structure of the title compound, [Sn(C(5)H(10)NS(2))(4)], was originally determined by Harreld & Schlemper [Acta Cryst. (1971), B27, 1964-1969] using intensity data estimated from Weissenberg films. In comparison with the previous refinement, the current redetermination reveals anisotropic displacement parameters for all non-H atoms, localization of the H atoms, and higher precision of lattice parameters and inter-atomic distances. The complex features a distorted S(6) octa-hedral coordination geometry for tin and a cis disposition of the monodentate dithio-carbamate ligands.

| S-EPMC2969649 | biostudies-literature

(N-Benzyl-N-ethyl-dithio-carbamato)di-tert-butyl-chloridotin(IV).

Project description:The Sn(IV) atom in the title diorganotin dithio-carbamate, [Sn(C(4)H(9))(2)Cl(C(10)H(12)NS(2))], is penta-coordinated by an asymmetrically coordinating dithio-carbamate ligand, a Cl 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. In the crystal structure, C-H⋯π contacts link centrosymmetrically related mol-ecules into dimeric aggregates.

| S-EPMC3051941 | 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

Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyl-dithio-carbamato-?2S,S')triphenyl-tin(IV) and [N-methyl-N-(2-phenyl-ethyl)-dithio-carbamato-?2S,S']tri-phenyl-tin(IV).

Project description:The crystal and mol-ecular structures of two tri-phenyl-tin di-thio-carbamate compounds, viz. [Sn(C6H5)3(C8H16NS2)], (I), and [Sn(C6H5)3(C10H12NS2)], (II), are described. The di-thio-carbamate ligand in each mol-ecule coordinates in an asymmetric fashion resulting in heavily distorted tetra-hedral C3S coordin-ation geometries for the Sn atoms, with the distortions traced to the close approach of the non-coordinating thione-S atom. The mol-ecular packing in both compounds features C-H??(Sn-phen-yl) inter-actions. In (I), the donors are Sn-phenyl-C-H groups leading to centrosymmetric aggregates, while in (II), the donors are both Sn-phenyl-C-H and methyl-C-H groups leading to supra-molecular chains propagating along the b axis. The identified aggregates assemble into their respective crystals with no directional inter-actions between them. An analysis of the Hirshfeld surfaces show distinctive patterns, but an overwhelming predominance (>99% in each case) of H?H, C?H/H?C and S?H/H?S contacts on the respective Hirshfeld surface.

| S-EPMC5947476 | 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