Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2,2'-Bipyridine-?N,N')bis-(N-isopropyl-N-methyl-dithio-carbamato-?S,S')cadmium.

ABSTRACT: The Cd(II) atom in the title compound, [Cd(C(5)H(10)NS(2))(2)(C(10)H(8)N(2))], exists in an N(2)S(4) donor set defined by two chelating dithio-carbamate anions as well as a 2,2'-bipyridine ligand. The coordination geometry approximates a trigonal prism. The crystal packing features weak C-H?S inter-actions, leading to linear supra-molecular chains along the a axis. The primary connections between these are by ?-? stacking inter-actions [ring centroid distance between centrosymmetrically related pyridyl rings = 3.7455?(10)?Å]. Overall, the crystal structure may be described as comprising double layers of mol-ecules that stack along the b axis.

SUBMITTER: Wahab NA

PROVIDER: S-EPMC3089361 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2,2'-Bipyridine-κN,N')bis-(N-isopropyl-N-methyl-dithio-carbamato-κS,S')cadmium.

Wahab Nor Asiken Abdul NA Baba Ibrahim I Mohamed Tahir Mohamed Ibrahim MI Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

The Cd(II) atom in the title compound, [Cd(C(5)H(10)NS(2))(2)(C(10)H(8)N(2))], exists in an N(2)S(4) donor set defined by two chelating dithio-carbamate anions as well as a 2,2'-bipyridine ligand. The coordination geometry approximates a trigonal prism. The crystal packing features weak C-H⋯S inter-actions, leading to linear supra-molecular chains along the a axis. The primary connections between these are by π-π stacking inter-actions [ring centroid distance between centrosymmetrically related ...[more]

PMID: 21754287

Similar Datasets

(2,2'-Bipyridine-κN,N')bis-(N-ethyl-N-methyl-dithio-carbamato-κS,S')zinc(II).

Project description:The complete mol-ecule of the title compound, [Zn(C(4)H(8)NS(2))(2)(C(10)H(8)N(2))], is generated by crystallographic twofold symmetry, with the Zn atom lying on the rotation axis; the axis also bis-ects the central C-C bond of the 2,2'-bipyridine mol-ecule. The metal atom is chelated by two S,S'-bidentate dithio-carbamate anions and the N,N'-bidentate heterocycle, resulting in a distorted cis-ZnN(2)S(4) octa-hedral geometry. The methyl and ethyl groups of the anion are statistically disordered.

| S-EPMC2979959 | biostudies-literature

(2,2'-Bipyridyl-?N,N')bis-(N-butyl-N-methyl-dithio-carbamato-?S,S')cadmium(II).

Project description:The Cd(II) atom in the title compound, [Cd(C(6)H(12)NS(2))(2)(C(10)H(8)N(2))], is hexa-coordinated by two dithio-carbamate ligands and the N atoms from a bidentate 2,2'-bipyridyl mol-ecule. The coordination geometry is based on a distorted trigonal-prismatic arrangement of the N(2)S(4) donor set. Supra-molecular chains, aligned along the a-axis direction, are mediated by C-H?S inter-actions and these are connected into layers that stack along the c axis via ?-? inter-actions [Cg(pyrid-yl)?Cg(pyrid-yl) = 3.6587?(13)?Å].

| S-EPMC3052129 | biostudies-literature

Bis(N-isopropyl-N-methyl-dithio-carbamato-?S,S')(1,10-phenanthroline-?N,N')zinc.

Project description:The Zn(II) atom in the title compound, [Zn(C(5)H(10)NS(2))(2)(C(12)H(8)N(2))], exists in a distorted cis-octa-hedral N(2)S(4) donor set defined by two chelating dithio-carbamate anions as well as a 1,10-phenanthroline ligand. Each of the ligands coordinates in a symmetric mode. The crystal packing is stabilized by weak C-H?S, C-H??(ZnS(2)C) and ?-? [ring centroid distance between centrosymmetrically related pyridyl rings = 3.5955?(13)?Å] inter-actions.

| S-EPMC3089284 | 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

(2,2'-Bipyridine-?N,N')bis-(N-ethyl-N-phenyl-dithio-carbamato-?S,S')cadmium(II) chloro-form solvate.

Project description:In the title compound, [Cd(C(9)H(10)NS(2))(2)(C(10)H(8)N(2))]·CHCl(3), the Cd(II) atom exists in an all-cis distorted octa-hedral geometry. Chelation is isobidentate for one dithio-carbamate ligand and anisobidentate for the other. The chloroform solvent mol-ecule is disordered over two positions of equal occupancy.

| S-EPMC2971268 | biostudies-other

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

Bis(?-biphenyl-2,2'-dicarboxyl-ato)bis-[aqua-(2,2'-bipyridine)cadmium(II)].

Project description:In the centrosymmetric dinuclear mol-ecule of the title compound, [Cd(2)(C(14)H(8)O(4))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)], the Cd(2+) ion is coordinated by three O atoms from two different diphenyl-dicarboxyl-ate (dpa) ligands (one O,O'-bidentate and one monodentate), a chelating bipyridine ligand and a water mol-ecule, generating an extremely distorted trigonal-prismatic (or irregular) CdN(2)O(4) coordination geometry for the metal ion. The bridging ligands generate an 18-membered ring, which is stabilized by two pairs of intra-molecular O-H?O hydrogen bonds.

| S-EPMC2979598 | biostudies-literature

Bis(?-N,N-di-allyl-dithio-carbamato)bis[(N,N-di-allyl-dithio-carbamato)cadmium].

Project description:The title compound, [Cd2(C7H10NS2)4], is a neutral dinuclear cadmium(II) complex bearing four bis N,N-di-allyl-di-thio-carbamate ligands coordinating to two CdII cations. In each of the monomeric subunits, there are four S atoms of two di-thio-carbamate ligands [Cd-S = 2.5558?(3), 2.8016?(3), 2.6050?(3) and 2.5709?(3)?Å] that coordinate to one CdII atom in a bidentate mode. The dimers are located over an inversion centre bridged by two additional bridging Cd-S bonds [2.6021?(3)?Å], leading to a substantial distortion of the geometry of the monomeric subunit from the expected square-planar geometry. The five-coordinate environment around each of the CdII ions in the dimer is best described as substanti-ally tetra-gonally distorted square pyramidal. The di-thio-carbamate groups are themselves planar and are also coplanar with the CdII ions. The negative charge on these groups is delocalized by resonance across the S atoms bound to the CdII cation. This delocalization of the ? electrons in the di-thio-carbamate groups also extends to the C-N bonds as they reveal significant double bond character [C-N = 1.3213?(16) and 1.3333?(15)?Å].

| S-EPMC5588579 | biostudies-literature

Bis(2,2'-bipyridine)(5,5'-imino-ditetra-zolato)cadmium(II) 2,2'-bipyridine hemisolvate monohydrate.

Project description:The title complex, [Cd(C(2)HN(9))(C(10)H(8)N(2))(2)]·0.5C(10)H(8)N(2)·H(2)O, was prepared under hydro-thermal reaction conditions. The asymmetric unit contains the cadmium complex, half a 2,2'-bipyridine solvent mol-ecule and a solvent water mol-ecule. The Cd(II) ion is coordinated by four N atoms from two 2,2'-bipyridine ligands and two N atoms from an HBTA(-) anion ligand [where H(2)BTA is N,N-bis-(1H-tetra-zol-5-yl)amine], forming an octa-hedral geometry. The complex is linked into a three-dimensional network by O-H?N and N-H?N hydrogen bonds and by the stacking inter-actions of rings, with distances of 3.5-3.7?Å between the atoms of two parallel 2,2'-bipyridine rings.

| S-EPMC2915158 | biostudies-literature

(?-4,4'-Bipyridine-?N:N')bis-[bis-(N,N-dimethyl-dithio-carbamato-?S,S')zinc(II)].

Project description:The title dinuclear Zn(II) complex, [Zn(2)(C(3)H(6)NS(2))(4)(C(10)H(8)N(2))], is centrosymmetric; the mid-point of the C-C bond linking the two pyridine rings is located on an inversion center. The pyridine N atom coordinates to the Zn(II) cation, which is also chelated by two dimethyl-dithio-carbamate anions, giving a trigonal-bipyramidal ZnNS(4) geometry. Weak inter-molecular C-H?S hydrogen bonding is present in the crystal structure.

| S-EPMC3009053 | 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