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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

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Iodido{4-phenyl-1-[1-(1,3-thia-zol-2-yl-κN)ethyl-idene]thio-semicarbazidato-κ(2) N',S}{4-phenyl-1-[1-(1,3-thia-zol-2-yl)ethyl-idene]thio-semicarbazide-κS}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 (τ = 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-literature

Iodido{4-phenyl-1-[1-(1,3-thia-zol-2-yl-κN)ethyl-idene]thio-semicarbazidato-κN',S}{4-phenyl-1-[1-(1,3-thia-zol-2-yl)ethyl-idene]thio-semicarbazide-κS}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

{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

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