Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(3-benzoyl-1,1-di-sec-butyl-thio-ureato-?O,S)palladium(II).

ABSTRACT: The complex mol-ecule of the title complex, [Pd(C(16)H(23)N(2)OS)(2)], is completed by crystallographic twofold symmetry with the metal atom lying on the rotation axis. The Pd(II) atom exists within a slightly distorted square-planar geometry defined by a cis-O(2)S(2) donor set. The dihedral angle formed between the mean planes of the symmetry-related six-membered chelate rings is 12.88?(7)° and the bond lengths within the rings are indicative of significant electron delocalization. In the crystal, mol-ecules aggregate into dimers linked by four C-H?O inter-actions.

SUBMITTER: Selvakumaran N

PROVIDER: S-EPMC3201548 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis(3-benzoyl-1,1-di-sec-butyl-thio-ureato-κO,S)palladium(II).

Selvakumaran N N Karvembu R R Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110917 Pt 10

The complex mol-ecule of the title complex, [Pd(C(16)H(23)N(2)OS)(2)], is completed by crystallographic twofold symmetry with the metal atom lying on the rotation axis. The Pd(II) atom exists within a slightly distorted square-planar geometry defined by a cis-O(2)S(2) donor set. The dihedral angle formed between the mean planes of the symmetry-related six-membered chelate rings is 12.88 (7)° and the bond lengths within the rings are indicative of significant electron delocalization. In the cryst ...[more]

PMID: 22058701

Similar Datasets

Di-tert-butyl 2-benzoyl-hydrazine-1,1-dicarboxyl-ate.

Project description:The crystal structure of the title compound, C(17)H(24)N(2)O(5), was determined in the course of our studies on the preparation of two families of pseudopeptides, viz. hydrazino- and N-amino- peptides. The most significant inter-action in the crystal structure is a bifurcated inter-molecular N-H?O hydrogen bond.

| S-EPMC2915266 | biostudies-literature

Bis[(1,1'-biphenyl-2,2'-di-yl)di-tert-butyl-phospho-nium] di-?-chlorido-bis-[dichlorido-palladate(II)].

Project description:In the title compound, (C(20)H(26)P)(2)[Pd(2)Cl(6)], the Pd(II) atom within the hexachloridodipalladate(II) dianion has a square-planar geometry. It resides on a centre of inversion with the asymmetric unit containing half of the dianion and one phospho-nium cation. Only weak C-H?? inter-actions are present in the crystal structure.

| S-EPMC3470136 | biostudies-literature

Tetra-n-butyl-ammonium bis-(2,2-dicyano-ethyl-ene-1,1-dithiol-ato)palladium(II).

Project description:In the title compound, (C(16)H(36)N)(2)[Pd(C(4)N(2)S(2))(2)], the Pd(II) center adopts a distorted square-planar geometry due to the four-membered chelate rings formed by coordination of the 2,2-dicyano-ethyl-ene-1,1-dithiol-ate (i-mnt) ligands [bite angle 75.0159 (17)°]. The bond distances in the coordinated i-mnt ligands indicate some delocalization of the π-system.

| S-EPMC2959997 | biostudies-literature

A triclinic polymorph of bis-(?-di-tert-butyl-phosphanido)bis-[(di-tert-butyl-phosphane)palladium(I)].

Project description:A new polymorph of the title compound, [Pd(2)(C(8)H(18)P)(2)(C(8)H(19)P)(2)], has been found. It belongs to the triclinic P-1 space group, whereas the known form [Leoni, Sommovigo, Pasquali, Sabatino & Braga (1992 ?), J. Organo-met. Chem.423, 263-270] crystallizes in the monoclinic C2/c space group. The title compound features a dinuclear palladium complex with a planar central Pd(2)(?-P)(2) core (r.m.s. deviation = 0.003?Å). The Pd-Pd distance of 2.5988?(5)?Å is within the range of a Pd(I)-Pd(I) bond. The mol-ecules of both polymorphs are located on a crystallographic centre of inversion. The mol-ecular conformations of the two polymorphs are essentially identical. The crystal packing patterns, on the other hand, are slightly different.

| S-EPMC3379177 | biostudies-literature

Bis(di-2-pyridyl-amine-?(2)N(2),N(2'))palladium(II) bis-(thio-cyanate).

Project description:The Pd(II) atom of the title salt, [Pd(C(10)H(9)N(3))(2)](NCS)(2), lies on a center of inversion and exists in a square-planar environment defined by the four pyridine N atoms derived from the two chelating di-2-pyridyl-amine (dpa) ligands. The chelate ring displays a boat conformation with a dihedral angle between the pyridine rings of 43.0?(1)°. Adjacent thio-cyanate ions are linked to the cations by N-H?N hydrogen bonds.

| S-EPMC3435575 | biostudies-literature

(Acetato-?(2)O,O')[2'-(di-tert-butyl-phosphanyl)-1,1'-biphenyl-?(2)P,C(2)]palladium(II).

Project description:The structure of the title compound, [Pd(C(2)H(3)O(2))(C(20)H(26)P)], shows a distorted square-planar geometry for the Pd(II) atom, with significant deviations being evident owing to the asymmetric coordination mode of the acetate ligand. A weak intra-molecular C-H?O inter-action is noted. The crystal studied was a racemic twin.

| S-EPMC3470176 | biostudies-literature

1,1'-Di-tert-butyl-2,2',3,3',4,4',5,5'-octa-ethyl-1,1'-bis-tannole.

Project description:The title compound, [Sn(2)(C(4)H(9))(2)(C(12)H(20))(2)], has two 1-stannacyclo-penta-diene skeletons related by inversion symmetry located at the mid-point of the Sn-Sn bond [2.7682 (2) Å]. Thus, the asymmetric unit comprises one half-mol-ecule. The planarity of the stannacyclo-penta-diene ring is illustrated by the dihedral angle of 0.3 (1)°, defined by the C(4) and C-Sn-C planes. To avoid steric repulsion, the two stannole rings are oriented in an anti fashion through the Sn-Sn bond. These structural features are similar to those of other bis-tannoles.

| S-EPMC3152095 | biostudies-literature

3-Benzoyl-1,1-dibenzyl-thio-urea.

Project description:Two independent thio-urea mol-ecules comprise the asymmetric unit of the title compound, C(22)H(20)N(2)OS. The central N-C(=S)N(H)C(=O) atoms in each mol-ecule are virtually superimposable and each is twisted [C-N-C-S torsion angles = 121.3?(3) and -62.3?(4)°]. The mol-ecules differ only in terms of the relative orientations of the benzyl benzene rings [major difference between the C-N-C-C torsion angles of -146.6?(3) and -132.9?(3)°]. The presence of N-H?S hydrogen bonding leads to the formation of supra-molecular chains along the a axis. These are consolidated in the crystal packing by C-H?O inter-actions. The crystal was found to be a combined non-merohedral and racemic twin (twin law 00/00/001), with the fractional contribution of the minor components being approximately 9 and 28%.

| S-EPMC2983284 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(3-phenyl-thio-urea).

Project description:The complete molecule of the title compound, C(16)H(18)N(4)S(2), is generated by crystallographic inversion symmetry. The dihedral angle between the phenyl ring and the thio-urea group is 52.9?(4)°. The crystal structure displays inter-molecular N-H?S hydrogen bonding, which generates sheets in the ab plane.

| S-EPMC3247560 | biostudies-literature

Bis[O,O'-bis-(4-tert-butyl-phen-yl) di-thio-phosphato-?(2) S,S']bis-(pyridine-?N)lead(II).

Project description:In the title compound, [Pb(C20H26O2PS2)2(C5H5N)2], the Pb(II) ion is coordinated by two S,S'-bidentate anions and two pyridine mol-ecules. The PbN2S4 coordination geometry approximates to a penta-gonal bipyramid with one equatorial site vacant. The N atoms occupy the axial sites. One of the pyridine mol-ecules is disordered over two sets of sites in a 0.907?(7):0.093?(7) ratio and one of the tert-butyl groups is disordered over two sets of sites in a 0.534?(6):0.466?(6) ratio. An intra-molecular C-H?O inter-action occurs in one of the ligands. In the crystal, pairs of short Pb?S contacts [3.4018?(11)?Å] generate a centrosymmetric dimeric assembly with the distant S atom lying in the region of the vacant coordination site of the metal atom. No directional packing inter-actions occur.

| S-EPMC3884392 | 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