Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{4-phenyl-1-[1-(pyridin-2-yl-?N)ethyl-idene]thio-semicarbazidato-?(2)N(1),S}cadmium.

ABSTRACT: The reaction of cadmium acetate dihydrate with 2-acetyl-pyridine (4-phenyl-thio-semicarbazone) yielded the title compound, [Cd(C(14)H(13)N(4)S)(2)]. The Cd(II) atom is six-coordin-ated in a distorted octa-hedral environment by two deproton-ated thio-semicarbazone ligands acting in a tridentate chelating mode through two N and one S atoms, forming metalla-rings. In the crystal, mol-ecules are connected through inversion centers via pairs of N-H?S inter-actions, building a one-dimensional hydrogen-bonded polymer along [0-1-1].

SUBMITTER: Fonseca Ade S

PROVIDER: S-EPMC3344363 | biostudies-other | 2012 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis{4-phenyl-1-[1-(pyridin-2-yl-κN)ethyl-idene]thio-semicarbazidato-κ(2)N(1),S}cadmium.

Fonseca Alexandra de Souza Ade S Gervini Vanessa Carratu VC Bresolin Leandro L Locatelli Aline A de Oliveira Adriano Bof AB

Acta crystallographica. Section E, Structure reports online 20120421 Pt 5

The reaction of cadmium acetate dihydrate with 2-acetyl-pyridine (4-phenyl-thio-semicarbazone) yielded the title compound, [Cd(C(14)H(13)N(4)S)(2)]. The Cd(II) atom is six-coordin-ated in a distorted octa-hedral environment by two deproton-ated thio-semicarbazone ligands acting in a tridentate chelating mode through two N and one S atoms, forming metalla-rings. In the crystal, mol-ecules are connected through inversion centers via pairs of N-H⋯S inter-actions, building a one-dimensional hydrogen ...[more]

PMID: 22590129

Similar Datasets

Iodido{4-phenyl-1-[1-(1,3-thia-zol-2-yl-?N)ethyl-idene]thio-semicarbazidato-?N',S}{4-phenyl-1-[1-(1,3-thia-zol-2-yl)ethyl-idene]thio-semicarbazide-?S}mercury(II).

Project description:In the title compound, [Hg(C(12)H(11)N(4)S(2))I(C(12)H(12)N(4)S(2))], the Hg atom is in a distorted square-pyramidal coordination, defined by the iodide ligand, by the S atom of the neutral ligand in the apical position, and by the N atom of the thia-zole ring, the thio-ureido N and the S atom of the deprotonated ligand. The deprotonated ligand intra-molecularly hydrogen bonds to the thia-zole ring N atom, while the deprotonated ligand forms an inter-molecular hydrogen bond to the thiol-ate S atom. The deprotonation of the tridentate ligand and its coordination to Hg via the S atom strikingly affects the C-S bond lengths. In the free ligand, the C-S bond distance is 1.685?(7)?Å, whereas it is 1.749?(7)?Å in the deprotonated ligand. Similarly, the Hg-S bond distance is slightly longer to the neutral ligand [2.6682?(18)?Å] than to the deprotonated ligand [2.5202?(19)?Å]. The Hg-I distance is 2.7505?(8)?Å.

| S-EPMC3120629 | biostudies-literature

Chloridodiphen-yl{[1-(1,3-thia-zol-2-yl-?N)ethyl-idene]-4-phenyl-thio-semicarbazidato-?N,S}tin(IV) methanol monosolvate.

Project description:The title compound, [Sn(C(6)H(5))(2)(C(12)H(11)N(4)S(2))Cl]·CH(4)O, is formed during the reaction between 2-acetyl-thia-zole 4-phenyl-thio-semicarbazone (Hacthptsc) and diphenyl-tin(IV) dichloride in methanol. In the crystal structure, the Sn atom exhibits an octa-hedral geometry with the [N(2)S] anionic tridentate thio-semicarbazone ligand having chloride trans to the central N and the two phenyl groups trans to each other. The Sn-Cl distance is 2.5929?(6), Sn-S is 2.4896?(6) and Sn-N to the central N is 2.3220?(16)?Å. The MeOH mol-ecules link the Sn complexes into one-dimensional chains via N-H?O and O-H?Cl hydrogen bonds.

| S-EPMC3201461 | biostudies-literature

1,5-Bis(1-phenyl-ethyl-idene)thio-carbono-hydrazide.

Project description:The title mol-ecule, C(17)H(18)N(4)S, is not planar, as indicated by the dihedral angle of 27.24?(9)° between the two benzene rings. In the crystal, inter-molecular N-H?S hydrogen bonds link pairs of mol-ecules into inversion dimers.

| S-EPMC3120603 | biostudies-literature

Iodido{4-phenyl-1-[1-(1,3-thia-zol-2-yl-?N)ethyl-idene]thio-semicarbazidato-?(2) N',S}{4-phenyl-1-[1-(1,3-thia-zol-2-yl)ethyl-idene]thio-semicarbazide-?S}cadmium(II).

Project description:In the title complex, [Cd(C12H11N4S2)I(C12H12N4S2)], the Cd(II) ion is penta-coordinated by two thio-semicarbazone ligands (one neutral and the other anionic) and one iodide ion in a distorted square pyramidal (? = 0.35) geometry. The central ion is coordinated by the thia-zole N atom, the thio-ureido N and the S atom of the deprotonated thio-semicarbazone ligand. The other ligand is linked with the central ion through the C=S group. The deprotonated ligand intra-molecularly hydrogen bonds to the thia-zole ring N atom, while the ligand forms an inter-molecular hydrogen bond to the thiol-ate S atom of the second ligand. The deprotonation of the tridentate ligand and its coordination to the Cd(II) ion via the S atom strikingly affects the C-S bond lengths. The C-S bond lengths in the neutral and deprotonated ligands in the metal complex are 1.709?(3) and 1.748?(2)?Å, respectively, whereas it is 1.671?(3)?Å in the free ligand. In the metal complex, the Cd-S distances are 2.6449?(6) and 2.5510?(6)?Å. The Cd-I bond length is 2.7860?(2)?Å.

| S-EPMC3647796 | biostudies-other

{4-Phenyl-1-[1-(1,3-thia-zol-2-yl)ethyl-idene]-thio-semicarbazidato}{4-phenyl-1-[1-(1,3-thia-zol-2-yl)ethylidene]-thio-semi-carbazide}nickel(II) chloride mono-hydrate.

Project description:In the title compound, [Ni(C(12)H(11)N(4)S(2))(C(12)H(12)N(4)S(2))]Cl·H(2)O, the Ni(II) ion is chelated by two 2-acetyl-thia-zole-3-phenyl-thio-semicarbazone ligands, forming a distorted octa-hedral complex. The metal ion is coordinated via the thia-zole nitro-gen, imine nitro-gen and thione sulfur atoms from each thio-semicarbazone ligand, and two coordinating units lie almost perpendicular to each other give dihedral angle = 81.89 (1)°]. One thio-semicarbazone unit is found to bind a chloride anion through two hydrogen bonds, while the other is linked with the disordered crystal water molecule. Two mol-ecules are connected to each other through an inter-molecular N-H⋯S inter-action, forming a centrosymmetric dimer. Dimers are linked into sheets by π-π stacking of two phenyl rings [shortest C⋯C distance = 4.041 (3) Å].

| S-EPMC2872247 | biostudies-literature

(2-{[1-(Pyridin-2-yl)ethyl-idene]amino-meth-yl}pyridine-?N,N',N'')bis-(thio-cyanato-?N)zinc.

Project description:The complete mol-ecule of the title mononuclear zinc(II) complex, [Zn(NCS)(2)(C(13)H(13)N(3))], is generated by crystallographic twofold symmetry, with the metal atom lying on the rotation axis. The pendant methyl group of the ligand is statistically disordered over two sites. The Zn(2+) cation is coordinated by the N,N',N''-tridentate Schiff base ligand, and by two thio-cyanate N atoms, forming a distorted ZnN(5) trigonal-bipyramidal geometry.

| S-EPMC3247537 | biostudies-literature

Dichlorido{4-cyclo-hexyl-1-[1-(2-pyridyl-?N)ethyl-idene]thio-semicarbazidato-?N,S}phenyl-tin(IV).

Project description:The Sn(IV) atom in the title compound, [Sn(C(6)H(5))(C(14)H(19)N(4)S)Cl(2)], exists within a distorted octa-hedral geometry defined by the N,N',S-tridentate monodeprotonated Schiff base ligand, two mutually trans Cl atoms, and the ipso-C atom of the Sn-bound phenyl group; the latter is trans to the azo-N atom. The greatest distortion from the ideal geometry is found in the nominally trans angle formed by the S and pyridyl-N atoms at Sn [151.03?(4)°]. With the exception of the cyclo-hexyl group (chair form), the Schiff base ligand is almost planar (r.m.s. deviation of non-H and Sn atoms = 0.053?Å). The nearly orthogonal orientation of the Sn-bound phenyl group [N-Sn-C-C torsion angle = 70.8?(5)°] to the planar portion of the Schiff base allows for the formation of significant intra-molecular C-H?Cl inter-actions which preclude the Cl atoms from participating in N-H?Cl hydrogen bonds. Instead, C-H?? contacts, involving methyl-ene H and the Sn-bound phenyl group, lead to the formation of supra-molecular chains that pack in the bc plane. Connections between these layers are of the type C-H?Cl.

| S-EPMC3011751 | biostudies-literature

{N,N'-Bis[1-(pyridin-2-yl)ethyl-idene]-propane-1,3-diamine}-(thio-cyanato-?N)copper(II) tetra-fluoridoborate.

Project description:In the title compound, [Cu(NCS)(C(17)H(20)N(4))]BF(4), the Cu(II) ion is five-coordinated by the four N atoms of the tetra-dentate Schiff base ligand and one N atom of a thio-cyanate ligand, thereby forming a square-pyramidal CuN(5) ccoordination geometry. The dihedral angle between the pyridine rings of the Schiff base is 55.58?(14)°. The F atoms of the tetra-fluoridoborate anion are disordered over two sets of sites with occupancies of 0.614?(3) and 0.386?(3). In the crystal, the components are linked by C-H?F inter-actions.

| S-EPMC3152035 | biostudies-literature

1,5-Bis[1-(4-bromo-phen-yl)ethyl-idene]thio-carbonohydrazide.

Project description:The asymmetric unit of the title compound, C17H16Br2N4S, contains two independent mol-ecules in which the benzene rings form dihedral angles of 20.0?(1) and 55.3?(1)°. In the crystal, a pair of N-H?S hydrogen bonds link the two different independent mol-ecules into a dimer.

| S-EPMC3648255 | biostudies-literature

Dibromido{N'-[1-(pyridin-2-yl)ethyl-idene]picolinohydrazide-?(2)N',O}cadmium.

Project description:The title compound, [CdBr(2)(C(13)H(12)N(4)O)], was obtained from the reaction of Cd(NO(3))(2)·4H(2)O with meth-yl(pyridin-2-yl)methanone picolinoylhydrazone and sodium bromide. The Cd(2+) cation is ligated by one O atom and two N atoms of the tridentate ligand and two bromide anions, forming a Br(2)CdN(2)O polyhedron with a distorted trigonal-bipyramidal coordination geometry. In the crystal, non-classical C-H?Br hydrogen bonds are observed. In addition, ?-? stacking inter-actions [centroid-centroid distance = 3.7455?(19)?Å] contribute to the stabilization of the crystal structure.

| S-EPMC3379182 | 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