Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

{S-Benzyl 3-[(6-methyl-pyridin-2-yl)-methyl-idene]dithio-carbazato}nickel(II) monohydrate.

ABSTRACT: The structure of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)]·H(2)O, has one mol-ecule in the asymmetric unit, along with a solvent water mol-ecule. The two different Schiff base moieties coordinate to the central Ni(II) ion as tridentate N,N',S-chelating ligands, creating a six-coordinate distorted octa-hedral environment [the smallest angle being 77.43?(7)° and the widest angle being 169.99?(7)°]. The mean planes of the two ligands are nearly orthogonal to each other with an angle of 89.53?(6)°. The packing of the complex is supported by O-H?N and O-H?S hydrogen bonding between the solvent water mol-ecule and the uncoordinated N and S atoms of neighbouring ligands.

SUBMITTER: Omar SA

PROVIDER: S-EPMC3297266 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

{S-Benzyl 3-[(6-methyl-pyridin-2-yl)-methyl-idene]dithio-carbazato}nickel(II) monohydrate.

Omar Siti Aminah SA Ravoof Thahira B S A TB Mohamed Tahir Mohamed Ibrahim MI Crouse Karen A KA

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

The structure of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)]·H(2)O, has one mol-ecule in the asymmetric unit, along with a solvent water mol-ecule. The two different Schiff base moieties coordinate to the central Ni(II) ion as tridentate N,N',S-chelating ligands, creating a six-coordinate distorted octa-hedral environment [the smallest angle being 77.43 (7)° and the widest angle being 169.99 (7)°]. The mean planes of the two ligands are nearly orthogonal to each other with an angle of 89.53 ...[more]

PMID: 22412456

Similar Datasets

Bis{S-benzyl 3-[(6-methyl-pyridin-2-yl)methyl-idene]dithio-carbazato}nickel(II).

Project description:The asymmetric unit of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)], consists of two independent mol-ecules with similar configurations. Each Ni(2+) cation is coordinated in a cis-mode by two tridentate N,N',S-chelating Schiff base ligands, creating a distorted octa-hedron [the smallest angle being 77.57?(7)° and the widest being 168.97?(7)° for one mol-ecule, and 78.04?(7) and 167.55?(7)° for the second mol-ecule]. The dihedral angle between the mean coordination planes of the two ligands is 86.76?(7)° for one and 89.99?(7)° for the second mol-ecule. ?-? inter-actions between neighbouring pyridine rings with plane-to-plane distances of 3.540?(1) and 3.704?(1)?Å are observed.

| S-EPMC3344386 | biostudies-literature

{S-Benzyl 3-[(6-methyl-pyridin-2-yl-?N)methyl-idene]dithio-carbazato-?(2)N(3),S}zinc.

Project description:The title compound, [Zn(C(15)H(14)N(3)S(2))(2)], contains two chemically equivalent Schiff base anions that are coordinated to the Zn(II) ion as tridentate N,N',S-chelating ligands, creating a distorted octa-hedral environment [the smallest angle being 75.40?(6)° and the widest angle being 162.87?(6)°], with the two S atoms in cis positions. The dihedral angle between the mean planes of the two coordinating ligands is 85.65?(5)°. Weak C-H?S hydrogen bonds are also observed.

| S-EPMC3344295 | biostudies-literature

Bis{benzyl 3-[(1H-indol-3-yl)methyl-idene]dithio-carbazato-κN,S}palladium(II) pyridine disolvate.

Project description:The Pd(II) ion in the title compound, [Pd(C(17)H(14)N(3)S(2))(2)]·2C(5)H(5)N, is located on an inversion center and is four-coordinated by two of the deprotonated N,S-bidentate Schiff base ligands in a square-planar geometry. The dihedral angle between the aromatic ring planes within the ligand is 71.12 (9)°. The indole NH groups are bonded to the pyridine solvent mol-ecules via an N-H⋯N inter-action. The crystal structure is consolidated by inter-molecular C-H⋯S inter-actions.

| S-EPMC3051733 | biostudies-literature

Bis{S-benzyl 3-[(phen-yl)(pyridin-2-yl)methyl-idene]dithio-carbazato}zinc acetonitrile monosolvate.

Project description:In the title compound, [Zn(C(20)H(16)N(3)S(2))(2)]·CH(3)CN, two different Schiff base moieties coordinate to the central Zn(II) ion as tridentate N,N',S-chelating ligands, creating a distorted octa-hedral environment [the smallest angle being 73.24?(6)° and the widest angle being 155.73?(7)°], with the two S atoms in cis positions. The dihedral angle between the mean planes of the two coordinating ligands is 83.65?(5)°. The crystal packing is consolidated by weak C-H?N hydrogen-bonding inter-actions.

| S-EPMC3343804 | biostudies-other

Bis{benzyl 3-[(1H-indol-3-yl)methyl-idene]dithio-carbazato-?N,S}palladium(II) N,N-dimethyl-formamide disolvate.

Project description:In the title compound, [Pd(C(17)H(14)N(3)S(2))(2)]·2C(3)H(7)NO, the deprotonated Schiff base ligand acts as an N,S-bidentate chelate, forming a five-membered ring with the metal atom. The Pd(II) ion, located on an inversion center, is four-coordinated by two of the Schiff base ligands in a square-planar geometry. In the crystal, the indolic NH groups are bonded to the dimethyl-formamide (DMF) solvent mol-ecules via an N-H?O inter-action. In addition, C-H?S inter-actions are observed.

| S-EPMC3050367 | biostudies-literature

Bis{(Z)-[(E)-2-(pyridin-2-yl-methyl-idene)hydrazin-1-yl-idene][(pyridin-2-yl)methyl-sulfan-yl]methane-thiol-ato}nickel(II).

Project description:The title compound, [Ni(C13H11N4S2)2], was obtained by the reaction of S-2-picolyldi-thio-carbazate and pyridine-2-carbaldehyde with nickel(II) acetate. The Ni(II) atom is located on a twofold rotation axis and is bonded to four N atoms at distances of 2.037 (8) and 2.109 (9) Å, and to two S atoms at a distance of 2.406 (3) Å, leading to a distorted octa-hedral coordination. The angle between the mean planes of the coordinating moieties of the two symmetry-related tridentate ligands is 83.3 (2)°. In the crystal, complex mol-ecules are linked by weak C-H⋯S hydrogen bonds, π-π inter-actions between the pyridine rings [centroid-centroid distance = 3.775 (9) Å] and C-H⋯π inter-actions. The hydrogen-bonding inter-actions lead to the formation of layers parallel to (010); π-π inter-actions link these layers into a three-dimensional network.

| S-EPMC3684885 | biostudies-literature

Bis[benzyl N'-(3-phenyl-prop-2-enyl-idene)dithio-carbazato-?(2)N',S]mercury(II).

Project description:In the title compound, [Hg(C(17)H(15)N(2)S(2))(2)], the Hg(II) ion lies on a crystallographic twofold rotation axis giving a very distorted tetra-hedral coordination geometry best described as bis-phenoidal, being chelated by two deprotonated N,S Schiff base ligands through the azomethine nitro-gen and the thiol-ate sulfur donors. The dihedral angle between the two chelating ligand moieties is 79.75?(10)°. In the crystal, weak C-H?S inter-actions give rise to chains extending along the c axis.

| S-EPMC3393190 | biostudies-literature

Bis{benzyl N'-[(1H-indol-3-yl)methyl-ene]dithio-carbazato-?N',S}copper(II) N,N-dimethyl-formamide disolvate.

Project description:In the structure of [Cu(C(17)H(14)N(3)S(2))(2)]·2C(3)H(7)NO, the Cu atom (site symmetry ) is N,S-chelated by the two deprotonated Schiff-base anions that define a distorted square-planar geometry. An N-H?O hydrogen bond links the mononuclear complex to the DMF solvent mol-ecules.

| S-EPMC2968278 | biostudies-literature

Benzyl 2-methyl-3-[(E)-(thio-phen-2-yl)methyl-idene]dithio-carbazate.

Project description:In the title compound, C(14)H(14)N(2)S(3), the thione S atom and methyl group are syn, as are the two thio-ether S atoms. The mol-ecule is twisted, the dihedral angles between the central (C(2)N(2)S(2)) residue and the pendent 2-thienyl and phenyl rings being 21.57?(6) and 77.54?(3)°, respectively. In the crystal, mol-ecules assemble into a three-dimensional architecture via C-H?? inter-actions, involving both the five- and six-membered rings as acceptors, as well as S?S inter-actions [3.3406?(5)?Å] between centrosymmetrically related 2-thienyl rings.

| S-EPMC3344150 | biostudies-literature

Crystal structure of bis-[S-hexyl 3-(4-methyl-benzyl-idene)di-thio-carbazato-?(2) N (3),S]nickel(II).

Project description:In the title complex, [Ni(C15H21N2S2)2], the Ni(II) atom exhibits a square-planar coordination geometry and is located on an inversion centre leading to a trans configuration of the N,S-chelating ligands. In the crystal, the complex mol-ecules stack at a distance of 4.6738?(3)?Å along the a axis, which exclude any significant inter-actions between the aromatic rings.

| S-EPMC4384570 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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