Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(?-2-Pyridine-aldazine-?N,N':N'',N''')bis-[bis-(N,N-di-n-propyl-dithio-carbamato-?S,S')cadmium(II)].

ABSTRACT: The dinuclear centrosymmetric title compound, [Cd(2)(C(7)H(14)NS(2))(4)(C(12)H(10)N(4))], features a tetra-dentate 2-pyridine-aldazine ligand that chelates two Cd centres. The coordination geometry for Cd is distorted octa-hedral based on a cis-N(2)S(4) donor set. In the crystal structure, mol-ecules are connected into a supra-molecular chain aligned along the a direction via C-H?S and C-H?? contacts, and by ?-? contacts [centroid-to-centroid distance 3.5708?(15)?Å]. The n-propyl groups are each disordered, one equally over two sites and the other with a site-occupancy factor of 0.618?(8) for the major component.

SUBMITTER: Poplaukhin P

PROVIDER: S-EPMC2960527 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(μ-2-Pyridine-aldazine-κN,N':N'',N''')bis-[bis-(N,N-di-n-propyl-dithio-carbamato-κS,S')cadmium(II)].

Poplaukhin Pavel P Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20080816 Pt 9

The dinuclear centrosymmetric title compound, [Cd(2)(C(7)H(14)NS(2))(4)(C(12)H(10)N(4))], features a tetra-dentate 2-pyridine-aldazine ligand that chelates two Cd centres. The coordination geometry for Cd is distorted octa-hedral based on a cis-N(2)S(4) donor set. In the crystal structure, mol-ecules are connected into a supra-molecular chain aligned along the a direction via C-H⋯S and C-H⋯π contacts, and by π-π contacts [centroid-to-centroid distance 3.5708 (15) Å]. The n-propyl groups are each ...[more]

PMID: 21201620

Similar Datasets

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(N-isobutyl-N-propyl-dithio-carbamato-?S,S')zinc(II).

Project description:In the title compound, [Zn(C(8)H(16)NS(2))(2)], the Zn(II) atom is chelated by two S,S'-bidentate dithio-carbamate ions in a very distorted tetra-hedral geometry. The alkyl chains of the ligands are equally disordered over two sets of sites.

| S-EPMC2979964 | biostudies-literature

Bis[N-(2-hy-droxy-eth-yl)-N-propyl-dithio-carbamato-?S,S']bis-(4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene]meth-yl}pyridine-?N)cadmium.

Project description:The complete mol-ecule of the title compound, [Cd(C(6)H(12)NOS(2))(2)(C(12)H(10)N(4))(2)], is generated by crystallographic inversion symmetry. The distorted octa-hedral trans-N(2)S(4) donor set for the Cd(2+) ion is defined by two symmetrically S,S'-chelating dithio-carbamate anions and two pyridine N atoms derived from two monodentate 4-pyridine-aldazine (or 4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine) mol-ecules [dihedral angle between the aromatic rings = 17.33?(8)°]. In the crystal, mol-ecules are connected into a supra-molecular chain via O-H?N hydrogen bonds involving the 4-pyridine-aldazine N atoms not involved in coordination to cadmium. Weak C-H?O and C-H?N links consolidate the packing.

| S-EPMC3052135 | 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-sec-butyl-N-n-propyl-dithio-carbamato-?S,S')(1,10-phenanthroline-?N,N')zinc(II).

Project description:Two independent but very similar mol-ecules comprise the asymmetric unit of the title compound, [Zn(C(8)H(16)NS(2))(2)(C(12)H(8)N(2))]. The N(2)S(4) donor set about Zn is defined by two symmetrically chelating dithio-carbamate ligands and a 1,10-phenanthroline ligand. Distortions from the ideal octa-hedral coordination geometry arise from the restricted bite angles of the ligands. The main feature of the crystal packing is the formation of tetra-meric supra-molecular aggregates mediated by C-H?S inter-actions. Disorder was found in each of the sec-butyl groups. This was resolved over two positions in each case with the major components of the disorder having site occupancies in the range 0.551?(6)-0.725?(5).

| S-EPMC3008025 | biostudies-literature

Bis(?-N,N-dimethyl-dithio-carbamato-?S,S':S)bis-[(N,N-dimethyl-dithio-carbamato-?S,S')copper(II)].

Project description:In the centrosymmetric dimeric title compound, [Cu(2)(C(3)H(6)NS(2))(4)], the Cu(II) atom is five-coordinate in a square-pyramidal environment. The basal coordination positions are occupied by four S atoms from two dimethyl-dithio-carbamate ligands and the apical coordination position is occupied by an S atom also bonded to the other Cu atom.

| S-EPMC2968622 | biostudies-literature

(2,2'-Bipyrid-yl)bis-[N-(2-hydroxy-ethyl)-N-n-propyl-dithio-carbamato-?S,S']cadmium(II) acetonitrile solvate.

Project description:The title complex, [Cd(C(6)H(12)NOS(2))(2)(C(10)H(8)N(2))]·CH(3)CN, features a distorted octa-hedral N(2)S(4) geometry for the Cd(II) centre defined by a pair of asymmetrically chelating dithio-carbamate ligands as well as a 2,2'-bipyridine ligand. Supra-molecular chains along [001] are formed in the crystal structure, mediated by O-H?S hydrogen bonds; the acetonitrile solvent mol-ecules are associated with the chains via O-H?N hydrogen bonds.

| S-EPMC2971818 | biostudies-other

catena-Poly[cadmium-bis-(?-N,N-dimethyl-dithio-carbamato-?S,S':S)].

Project description:In the title compound, [Cd(C(3)H(6)NS(2))(2)](n), the Cd(II) atom, lying on a twofold rotation axis, is coordinated by six S atoms from four different N,N-dimethyl-dithio-carbamate ligands in a distorted octa-hedral geometry. The bridging of S atoms of the ligands leads to the formation of a one-dimensional structure along [001].

| S-EPMC3009052 | biostudies-literature

Bis(?-N-benzyl-N-tetra-decyl-dithio-carbamato-?S:S')bis-[(N-benzyl-N-tetra-decyl-dithio-carbamato-?S,S')zinc(II)].

Project description:In the title compound, [Zn(2)(C(22)H(36)NS(2))(4)], two bidentate dithio-carbamate groups chelate directly to the Zn(II) atoms, whereas the two remaining dithio-carbamate ligands bridge the Zn atoms via a crystallographic inversion centre. The Zn atoms show a strongly distorted tetra-hedral geometry. Adding the long S?S distance with the inversion centre being in the middle, the resulting five-coordinate geometry around the Zn atoms can be considered to be between distorted recta-ngular pyramidal and trigonal bipyramidal, with a calculated ? value of 0.31. In this dimer complex, two inversion-related tetra-decyl carbon chains exhibit all-trans conformations, and the other two chains show a cis conformation at the end of the chains.

| S-EPMC2969063 | biostudies-literature

Bis[2-(1H-pyrazol-3-yl-?N)pyridine-?N]dithio-cyanato-?N,?S-cadmium(II).

Project description:The mol-ecular structure of the mononuclear complex, [Cd(SCN)(2)(C(8)H(7)N(3))(2)], contains a Cd(II) atom in a distorted octa-hedral coordination defined by five N atoms from two bidentate chelate 2-(1H-pyrazol-3-yl)pyridine ligands and by one SCN(-) anion. The second SCN(-) anion provides its S atom for completion of the coordination sphere. The complex is linked to four others by N-H?N and N-H?S hydrogen-bonding inter-actions between the pyrazol N-H group and the terminal S and N atoms of neighbouring SCN(-) anions. This arrangement leads to the formation of sheets parallel to (100). Face-to-face ?-? stacking inter-actions with shortest inter-planar distances of 3.805?(2) and 3.696?(2)?Å help to consolidate the crystal packing.

| S-EPMC2983401 | 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