Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: The whole mol-ecule of the title complex, [Pd(C15H21N2S2)2], is generated by twofold rotational symmetry. The palladium(II) atom exhibits a square-planar coordination geometry, and is located on the crystallographic twofold axis that induces a cis configuration of the N,S chelating ligands. In the crystal, mol-ecules stack along the c-axis direction and there are no significant inter-molecular inter-actions present. The structure was refined as an inversion twin with a final BASF parameter of 0.34?(2).

SUBMITTER: Begum MS

PROVIDER: S-EPMC4350759 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Begum M Sabina MS Howlader M Belayet Hossain MB Sheikh M Chanmiya MC Miyatake Ryuta R Zangrando Ennio E

Acta crystallographica. Section E, Crystallographic communications 20150211 Pt 3

The whole mol-ecule of the title complex, [Pd(C15H21N2S2)2], is generated by twofold rotational symmetry. The palladium(II) atom exhibits a square-planar coordination geometry, and is located on the crystallographic twofold axis that induces a cis configuration of the N,S chelating ligands. In the crystal, mol-ecules stack along the c-axis direction and there are no significant inter-molecular inter-actions present. The structure was refined as an inversion twin with a final BASF parameter of 0. ...[more]

PMID: 25844210

Similar Datasets

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

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

Project description:In the title complex, [Cu(C16H24N3S2)2], the Cu(II) atom is coordinated by two azomethine N and two thiol-ate S atoms of the chelating Schiff base ligands, resulting in a distorted square-planar coordination environment. The S-Cu-N chelating angle is of 84.41?(5)°. The Cu(II) atom is located on a crystallographic inversion centre, leading to a trans configuration of the N,S-chelating ligands.

| S-EPMC4459341 | biostudies-literature

Crystal structure of S-hexyl (E)-3-(4-methyl-benzyl-idene)di-thio-carbazate.

Project description:In the title compound, C15H22N2S2, the di-thio-carbazate group adopts an E conformation with respect to the C=N bond of the benzyl-idene moiety. In the crystal, mol-ecules are linked by pairs of N-H?S hydrogen bonds, forming inversion dimers with an R (2) 2(8) ring motif. The dimers are linked via C-H?? inter-actions, forming chains propagating along [100].

| S-EPMC4384598 | biostudies-literature

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

Project description:The title compound, [Cu2(C14H18N2OS2)2], is a binuclear copper(II) complex of an oxybenzyl-idenedi-thio-carbazate ligand. The ligand coordinates in a tridentate manner through N-, S- and O-donor atoms. Each O atom also bridges to a second Cu(II) ion to form the binuclear species. It has a central Cu2O2 rhomboid moiety and a metal-to-metal separation of 2.9923?(6)?Å. In the crystal, the binuclear complexes stack along the a axis with all the hexyl chains located side-by-side, forming a hydro-phobic region. The complexes are linked via C-H?N hydrogen bonds, forming chains along the c-axis direction. One Cu(II) atom has the S atom of a symmetry-related complex located approximately in the apical position at 2.9740?(11)?Å. This weak inter-action links the chains to form slabs parallel to the ac plane.

| S-EPMC4719858 | biostudies-other

Crystal structure of S-hexyl (E)-3-(4-methoxy-benzyl-idene)di-thio-carbazate.

Project description:In the title compound, C15H22N2OS2, the di-thio-carbazate group adopts an EE conformation with respect to the C=N bond of the benzyl-idene moiety. The hexyl side chain adopts an extended conformation and the C-S-C-C torsion angle is -93.36?(13)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds generate R 2 (2)(8) loops.

| S-EPMC4350723 | biostudies-literature

Bis{benzyl 3-[(1H-indol-3-yl)methyl-idene]dithio-carbazato-?N,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{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{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

Crystal structure of 3-benzyl-1-[(cyclo-hexyl-idene)amino]-thio-urea.

Project description:The conformation of the title compound, C14H19N3S, is partially determined by an intra-molecular N-H⋯N hydro-gen-bond inter-action, although the N-H⋯N angle of 108° is quite small. The cyclo-hexyl-idene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers, with an R 2 (2)(8) ring motif. The dimers are reinforced by pairs of C-H⋯S hydrogen bonds, and are linked by further weak C-H⋯S hydrogen bonds, forming chains propagating along [100].

| S-EPMC4719888 | biostudies-literature

Crystal structure of {N 1,N 3-bis-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl-idene]-2,2-di-methyl-propane-1,3-di-amine}bis-(thio-cyanato-?N)iron(II).

Project description:The unit cell of the title compound, [FeII(NCS)2(C25H28N8)], consists of two charge-neutral complex mol-ecules related by an inversion centre. In the complex mol-ecule, the tetra-dentate ligand N 1,N 3-bis-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl-ene]-2,2-di-methyl-propane-1,3-di-amine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole moieties and aldimine groups. Two thio-cyanate anions, coordinating through their N atoms, complete the coordination sphere of the central ion. In the crystal, neighbouring mol-ecules are linked through weak C-H??, C-H?S and C-H?N inter-actions into a two-dimensional network extending parallel to (011). The inter-molecular contacts were qu-anti-fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H?H (35.2%), H?C/C?H (26.4%), H?S/S?H (19.3%) and H?N/N?H (13.9%).

| S-EPMC7534255 | 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