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

ABSTRACT: 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.

SUBMITTER: Arumugam SR

PROVIDER: S-EPMC3201461 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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

Arumugam Sri Ranjini SR Dasary Samuel S R SS Venkatraman Ramaiyer R Yu Hongtao H Fronczek Frank R FR

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

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 ce ...[more]

PMID: 22065366

Similar Datasets

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

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

{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

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

Chlorido(1-cyclo-pentyl-idene-4-ethyl-thio-semicarbazidato-?N,S)diphenyl-tin(IV).

Project description:The Sn atom in the title compound, [Sn(C(6)H(5))(2)(C(8)H(14)N(3)S)Cl], is penta-coordinated with a trigonal-bipyramidal coordination geometry. The 1-cyclo-pentyl-idene-4-ethyl-thio-semicarbazidate (cpetsc) ligand coordinates through the S atom and the N atom bonds to the cyclo-pentyl group, forming a five-membered ring with the Sn center. The chloride ligand and the coordinated N atom are in axial positions. In the crystal structure, inter-molecular N-H?Cl hydrogen bonds form chains along [101].

| S-EPMC2971835 | biostudies-other

[2-(Biphenyl-4-yl)-1,3-thia-zol-4-yl]methanol.

Project description:In the title compound, C(16)H(13)NOS, the central benzene ring makes dihedral angles of 3.25?(7) and 41.32?(8)°, respectively, with the thia-zole and phenyl rings. In the crystal, O-H?N hydrogen bonds link the mol-ecules into a chain along the c axis. A weak C-H?O inter-action further connects the chains into a layer parallel to the ac plane.

| S-EPMC3470322 | biostudies-literature

Dichlorido{(2E)-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazinecarbo-thio-amide}cadmium(II) methanol monosolvate.

Project description:In the title compound, [CdCl2(C13H12N4S)]·CH3OH, the coord-ination geometry of the Cd(II) ion is slightly distorted square-pyramidal, as indicated by the ? index of 0.36?(8). The S atom, two N atoms from the pyridyl-azomethine moiety and one of the Cl atoms comprise the basal plane, while the other Cl atom occupies the apical position. The hydrazinecarbo-thio-amide moiety adopts an E conformation with respect to the azomethine bond. The solvate mol-ecule in the crystal lattice plays a major role in inter-connecting adjacent mol-ecules by means of O-H?Cl and N-H?O hydrogen-bonding inter-actions. A supra-molecular three-dimensional architecture is sustained in terms of further N-H?Cl and C-H?Cl hydrogen-bonding inter-actions.

| S-EPMC4158520 | biostudies-literature

[(E)-(1-Phenyl-ethyl-idene)amino]-urea methanol monosolvate.

Project description:In the title compound, C(9)H(11)N(3)O·CH(4)O, the semicarbazone moiety is nearly planar [maximum deviation = 0.017 (2) Å] and is twisted by a dihedral angle of 29.40 (13)° with respect to the phenyl ring. The semicarbazone moiety and phenyl ring are located on opposite sides of the C=N bond, showing the E configuration. An inter-molecular O-H⋯O and N-H⋯O hydrogen-bonding network occurs in the crystal structure.

| S-EPMC3051788 | biostudies-literature

Di-n-but-yl{1-[1-(2-hydroxy-phen-yl)ethyl-idene]-5-[1-(2-oxidophen-yl)ethyl-idene]thio-carbazonato-?O,N,S}tin(IV).

Project description:The 'symmetrical' 1,5-bis-[1-(2-hydroxy-phen-yl)ethyl-idene]thio-carbazone Schiff base condenses with dibutyl-tin oxide to form the title complex, [Sn(C(4)H(9))(2)(C(17)H(16)N(4)O(2)S)], in which the deprotonated ligand O,N,S-chelates to the Sn atom of two crystallographically independent mol-ecules. The ligand bears a formal negative charge on the S and one O atom; the other O atom retains its H atom. The Sn atoms are five-coordinated in a cis-C(2)NOSSn trigonal-bipyramidal environment, and the apical sites are occupied by the O and S atoms. In both mol-ecules, the hydr-oxy group is hydrogen bonded to a double-bonded N atom, generating a six-membered ring. The amino group is a donor to the coordinated O atom of an adjacent mol-ecule, the hydrogen-bonding inter-action giving rise to a helical chain running along the b axis. In one of the independent mol-ecules, the atoms of one of the n-butyl groups are disordered over two sets of sites with equal occupancy. In the other independent mol-ecule, the atoms of both n-butyl groups are disordered over two sets of sites with equal occupancy and, in addition, the Sn and S atoms were also refined as disordered over two sets of sites with equal occupancy.

| S-EPMC2979428 | biostudies-literature

N-(1,3-Thia-zol-2-yl)-N'-[(thio-phen-2-yl)carbon-yl]thio-urea hemihydrate.

Project description:The title compound, C9H7N3OS3·0.5H2O, crystallizes with two independent but similar mol-ecules in the asymmetric unit, both of which are linked by a water mol-ecule through O-H⋯N hydrogen bonds. In addition the water O atom is further linked by N-H⋯O hydrogen bonds to two additional main mol-ecules, forming a tetra-meric unit. These tetra-meric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thio-phenoyl and thia-zolyl rings is 12.15 (10) and 21.69 (11)° in mol-ecules A and B, respectively. The central thio-urea core makes dihedral angles of 5.77 (11) and 8.61 (9)°, respectively, with the thio--phen-oyl and thia-zolyl rings in mol-ecule A and 8.41 (10) and 13.43 (12)° in mol-ecule B. Each mol-ecule adopts a trans-cis geometry with respect to the position of thio-phenoyl and thia-zole groups relative to the S atom across the thio-urea C-N bonds. This geometry is stabilized by intra-molecular N-H⋯O hydrogen bonds.

| S-EPMC3588839 | biostudies-literature

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