Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[1-(2-Oxidobenzyl-idene)-4-phenyl-thio-semicarbazidato-?O,N,S](pyridine-?N)copper(II).

ABSTRACT: In the structure of the title compound, [Cu(C(14)H(11)N(3)OS)(C(5)H(5)N)], the Cu(II) atom exhibits a slightly distorted square-planar CuN(2)OS coordination polyhedron consisting of a phenyl O, an azomethine N and a thio-amide S atom from the tridentate thio-semicarbazonate dianion, and the N atom of a pyridine mol-ecule. The thio-semicarbazonate ligand exists in the thiol tautomeric form as an E isomer. Rotational disorder of the pyridine and phenyl rings in a 1:1 ratio of the respective components is observed. An extensive network of weak N-H?S, C-H?O, C-H?N and C-H?S hydrogen-bonding inter-actions consolidates the structure.

SUBMITTER: Bon VV

PROVIDER: S-EPMC2979479 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

[1-(2-Oxidobenzyl-idene)-4-phenyl-thio-semicarbazidato-κO,N,S](pyridine-κN)copper(II).

Bon Vladimir V VV Orysyk Svitlana I SI Pekhnyo Vasily I VI

Acta crystallographica. Section E, Structure reports online 20100519 Pt 6

In the structure of the title compound, [Cu(C(14)H(11)N(3)OS)(C(5)H(5)N)], the Cu(II) atom exhibits a slightly distorted square-planar CuN(2)OS coordination polyhedron consisting of a phenyl O, an azomethine N and a thio-amide S atom from the tridentate thio-semicarbazonate dianion, and the N atom of a pyridine mol-ecule. The thio-semicarbazonate ligand exists in the thiol tautomeric form as an E isomer. Rotational disorder of the pyridine and phenyl rings in a 1:1 ratio of the respective compon ...[more]

PMID: 21579316

Similar Datasets

[1-(5-Bromo-2-oxidobenzyl-idene)thio-semicarbazidato-?(3)O,N(1),S](pyridine-?N)nickel(II).

Project description:The reaction of 5-bromo-salicyl-aldehyde thio-semicarbazone with nickel acetate tetra-hydrate and pyridine yielded the title compound, [Ni(C(8)H(6)BrN(3)OS)(C(5)H(5)N)]. The Ni(II) atom is four-coordinated in a square-planar environment by one deprotonated dianionic thio-semicarbazone ligand, acting in a tridentate chelating mode through N, O and S atoms forming two metalla-rings, and by one pyridine mol-ecule. The complex mol-ecules are linked into dimers by pairs of centrosym-metrical N-H?N inter-actions. In addition, mol-ecules are connected through inter-molecular Br?Br inter-actions [3.545?(1)?Å], forming chains along the b-axis direction.

| S-EPMC3435568 | biostudies-literature

[?-4-Benzoyl-1-(1-oxido-2-naphthyl-carbon-yl)thio-semicarbazidato(4-)]bis-[pyridine-copper(II)].

Project description:In the title dinuclear complex, [Cu(2)(C(19)H(11)N(3)O(3)S)(C(5)H(5)N)(2)], the two Cu(II) centers have different coordination environments, viz. N(2)OS and N(2)O(2), each exhibiting a distorted square-planar geometry. ?-? inter-actions between the aromatic rings of neighbouring complexes [centroid-centroid distance = 3.856?(5)?Å] link pairs of mol-ecules into centrosymmetric dimers, which are further packed into stacks along the b axis with relatively short Cu?Cu separations of 3.482?(1)?Å. Weak inter-molecular C-H?N hydrogen bonds help to consolidate the crystal packing.

| S-EPMC2971176 | biostudies-literature

[N'-(4-Meth-oxy-2-oxidobenzyl-idene)4-nitro-benzohydrazidato-?O,N,O'](pyridine-?N)copper(II).

Project description:The pyridine-coordinated Cu(II) atom in the title Schiff base complex, [Cu(C(15)H(11)N(3)O(5))(C(5)H(5)N)], is O,N,O'-chelated by the doubly deprotonated Schiff base ligand. The metal centre is in a square-planar coordination geometry.

| S-EPMC2968021 | biostudies-literature

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

[(E)-N'-(5-Chloro-2-oxidobenzyl-idene-?O)-3,4,5-trimeth-oxy-benzohydrazidato-?N',O](pyridine-?N)copper(II).

Project description:In the title compound, [Cu(C(17)H(15)ClN(2)O(5))(C(5)H(5)N)], the Cu(II) atom is coordinated by one N atom and two O atoms from an anionic salicyl-aldehyde benzoyl-hydrazone ligand and one pyridine N atom in a distorted square-planar geometry. The bonds displays the usual elongation with mean Cu-O and Cu-N bond lengths of 1.926 and 1.976?Å, respectively. The pyridine ring makes dihedral angles of 26.12?(13) and 11.08?(12)°, respectively, with the trimeth-oxy-phenyl and phenolate rings, which make a dihedral angle of 16.05?(12)° with one another.

| S-EPMC3089131 | biostudies-literature

Diaqua-[N-(5-nitro-2-oxidobenzyl-idene)glycinato]copper(II) dihydrate.

Project description:In the title complex, [Cu(C(9)H(6)N(2)O(5))(H(2)O)(2)]·2H(2)O, the Cu(II) atom has a square-pyramidal coordination environment with a tridentate N-(5-nitro-2-oxidobenzyl-idene)glycinate Schiff base ligand and a water mol-ecule in the basal plane. The apical site is occupied by an O atom from another coordinated water mol-ecule. The crystal structure is stabilized by O-H?O hydrogen bonds, building a two-dimensional network parallel to (100).

| S-EPMC2983767 | 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

Bis[?-N'-(2-oxidobenzyl-idene)thio-phene-2-carbohydrazidato]bis-[dimethanol-nickel(II)].

Project description:In the crystal structure of the centrosymmetric binuclear title complex, [Ni(2)(C(12)H(8)N(2)O(2)S)(2)(CH(3)OH)(4)], there are inter-molecular O-H?O, O-H?N and O-H?S hydrogen bonds. These help to stabilize the structure and link the mol-ecules, forming a three-dimensional network structure. The Ni(2+) cation exists in a slightly distorted octahedral NiNO(5) coordination environment. The thio-phene rings are disordered over two equivalent conformations with occupancies of 0.881?(3) and 0.119?(3).

| S-EPMC3152025 | biostudies-literature

[2-Hydroxy-N'-(4-oxo-4-phenyl-butan-2-yl-idene)benzohydrazidato(2-)]pyridine-copper(II).

Project description:The mononuclear title complex, [Cu(C(17)H(14)N(2)O(3))(C(5)H(5)N)], was synthesized by the reaction of CuCl(2)·2H(2)O with N-(4-oxo-4-phenyl-butan-2-yl-idene)benzohydrazide (H(2)L). The central Cu(II) atom exhibits a distorted square-planar coordination geometry, defined by two O atoms, one N atom from the ligand and one pyridine N atom with Cu-N distances of 1.874?(4) and 1.963?(4)?Å, while the Cu-O distances are 1.857?(3) and 1.890?(3)?Å. An intra-molecular O-H?N inter-action occurs.

| S-EPMC3011487 | 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

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