Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[rac-2-(1-Amino-eth-yl)phenyl-?C,N](ethyl-endiamine-?N,N')palladium(II) 3,5-dimethyl-benzoate.

ABSTRACT: In the title compound, [Pd(C(8)H(10)N)(C(2)H(8)N(2))](C(9)H(9)O(2)), the palladium ion is coordinated in a distorted square-planar fashion by the two N atoms from the chelating ethyl-enediamine group and by the N and a C atom of the deprotonated chiral amine. The resulting cationic complex and the 3,5-dimethyl-benzoate anion are inter-connected by N-H?O hydrogen bonds.

SUBMITTER: Serb MD

PROVIDER: S-EPMC3007359 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

[rac-2-(1-Amino-eth-yl)phenyl-κC,N](ethyl-endiamine-κN,N')palladium(II) 3,5-dimethyl-benzoate.

Serb Mihaela-Diana MD Kalf Irmgard I Englert Ulli U

Acta crystallographica. Section E, Structure reports online 20100721 Pt 8

In the title compound, [Pd(C(8)H(10)N)(C(2)H(8)N(2))](C(9)H(9)O(2)), the palladium ion is coordinated in a distorted square-planar fashion by the two N atoms from the chelating ethyl-enediamine group and by the N and a C atom of the deprotonated chiral amine. The resulting cationic complex and the 3,5-dimethyl-benzoate anion are inter-connected by N-H⋯O hydrogen bonds. ...[more]

PMID: 21588201

Similar Datasets

[rac-2-(1-Amino-eth-yl)phenyl-κC,N](ethyl-endiamine-κN,N')palladium(II) 3-methyl-benzoate monohydrate.

Project description:In the title compound, [Pd(C(8)H(10)N)(C(2)H(8)N(2))](C(8)H(7)O(2))·H(2)O, the palladium ion is coordinated in a distorted square-planar fashion by the two N atoms from the chelating ethyl-enediamine group and by the N and a C atom of the deprotonated chiral amine. The resulting cationic complex, the 3-methyl-benzoate anion and the hydrate water mol-ecule are inter-connected by N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC3007357 | biostudies-literature

Chloro({2-[mesityl(quinolin-8-yl-κN)boryl]-3,5-dimethyl-phenyl}methyl-κC)palladium(II) as a catalyst for Heck reactions.

Project description:We recently reported an air and moisture stable 16-electron borapalladacycle formed upon combination of 8-quinolyldimesitylborane with bis(benzonitrile)dichloropalladium(II). The complex features a tucked mesityl group formed upon metalation of an ortho-methyl group on a mesityl; however it is unusually stable due to contribution of the boron pz orbital in delocalizing the carbanion that gives rise to an η4-boratabutadiene fragment coordinated to Pd(II), as evidenced from crystallographic data. This complex was observed to be a highly active catalyst for the Heck reaction. Data of the catalyst activity are presented alongside data found in the literature, and initial comparison reveals that the borapalladacycle is quite active. The observed catalysis suggests the borapalladacycle readily undergoes reductive elimination; however the Pd(0) complex has not yet been isolated. Nevertheless, the ambiphilic ligand 8-quinolyldimesitylborane may be able to support palladium in different redox states.

| S-EPMC6332355 | biostudies-literature

Chlorido{2-[(dimethyl-amino)-methyl]phenyl-κC,N}(1-methyl-1H-imidazole-κN)palladium(II).

Project description:In the title compound, [Pd(C(9)H(12)N)Cl(C(4)H(6)N(2))], which was synthesized from the reaction of 1-methyl-imidazole with dimeric dichloridobis[2-(dimethyl-amino)-benz-yl]palla-dium(II), the ring-deprotonated N,N-dimethyl-benzyl-amine ligand acts in a C,N-bidentate fashion. The dihedral angle between the ring of the 1-methyl-imidazole ligand and the palladacycle plane is 57.88 (16)°. The two N atoms from the N,N-dimethyl-benzyl-amine and 1-methyl-imidazole ligands are trans coordinated to the Pd(II) atom.

| S-EPMC3011615 | biostudies-literature

Chlorido(1,2-dimethyl-1H-imidazole-κN){2-[(diphen-oxy-phosphan-yl)-oxy]phenyl-κC,P}palladium(II).

Project description:The Pd atom in the title compound, [Pd(C(18)H(14)O(3)P)Cl(C(5)H(8)N(2))], adopts a slightly distorted square-planar coordination geometry, with the metallated carbon positioned trans to the Cl atom. The crystal structure is stabilized by several weak C-H⋯O and C-H⋯Cl hydrogen-bond inter-actions. One of the phenyl rings is disordered over two almost equally occupied sites.

| S-EPMC3274940 | biostudies-literature

6-(3,5-Dimethyl-benz-yl)-5-ethyl-1-[(2-phenyl-eth-oxy)meth-yl]pyrimidine-2,4(1H,3H)dione.

Project description:In the title pyrimidine derivative, C(24)H(28)N(2)O(3), the uracil unit is essentially planar with an r.m.s. deviation of 0.0054 (1) Å for the eight non-H atoms. The pyrimidine ring is tilted by a dihedral angle of 77.08 (7)° with respect to the aromatic ring of the 3,5-dimethyl-benzyl substituent, whereas it is nearly parallel to the benzene ring of the pheneth-oxy-methyl unit, with a dihedral angle of 8.17 (8)°. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by a pair of amide-uracil N-H⋯O hydrogen bonds into an inversion R(2) (2)(8) dimer. These dimers are stacked along the b axis through π-π inter-actions with a centroid-centroid distance of 3.9517 (8) Å. Weak C-H⋯π inter-actions are also present.

| S-EPMC3343994 | biostudies-literature

catena-Poly[[bis-(N-ethyl-ethylene-di-amine-κN,N')copper(II)]-μ-cyanido-κN:C-[dicyanido-κC-palladium(II)]-μ-cyanido-κC:N].

Project description:The title compound, [CuPd(CN)(4)(C(4)H(12)N(2))(2)](n), consists of one-dimensional chains. The Cu and Pd atoms are both located on centers of symmetry in an alternating array of [Cu(N-Eten)(2)](2+) (N-Eten = N-ethyl-ethylenediamine) and [Pd(CN)(4)](2-) units. The Pd-C distances of 1.991 (3) and 1.992 (3) Å are inter-mediate values compared with the analogous Ni(II) and Pt(II) complexes [Akitsu & Einaga (2007 ▶). Inorg. Chim. Acta, 360, 497-505]. Due to Jahn-Teller effects, the axial Cu-N bond distance of 2.548 (2) Å is noticeably longer than the equatorial distances [Cu-NH(2) = 2.007 (2) and Cu-NHC(2)H(5) = 2.050 (2) Å]. There are interchain hybrogen bonds, with N(-H)⋯N = 3.099(4) Å.

| S-EPMC2969003 | biostudies-literature

Aqua-(benzamidato-κN)bis-[3,5-difluoro-2-(pyridin-2-yl)phenyl-κC]iridium(III) methanol monosolvate.

Project description:In the title compound, [Ir(C(11)H(6)F(2)N)(2)(C(7)H(6)NO)(H(2)O)]·CH(3)OH, the Ir(III) ion adopts an octa-hedral geometry, and is coordinated by two 3,5-difluoro-2-(pyridin-2-yl)phenyl ligands, one mol-ecule of water and one benzamidate anion. The two 2-(4,6-difluoro-phen-yl)pyridyl ligands are arranged in a cis-C,C' and trans-N,N' fashion. Additionally, there is a bystanding methanol mol-ecule outside the coordination sphere of the Ir(III) ion. In the crystal, mol-ecules of the title compound are linked by O-H⋯O and O-H⋯N hydrogen bonds. One F atom of each ligand is equally disordered over two sites. The C atom of the solvent molecule is likewise disordered over two sites in a 0.589 (11):0.411 (11) ratio.

| S-EPMC3297261 | biostudies-literature

2,5-Dimethyl-phenyl benzoate.

Project description:In the title compound, C(15)H(14)O(2), the plane of the central -C(=O)-O- group is inclined at an angle of 3.7 (2)° with respect to the benzoate ring. The two benzene rings are almost perpendicular, making a dihedral angle of 87.4 (1)°. In the crystal, mol-ecules are packed into infinite chains through weak C-H⋯π inter-actions.

| S-EPMC2969038 | biostudies-literature

2,3-Dimethyl-phenyl benzoate.

Project description:The structure of the title compound (23DMPBA), C(15)H(14)O(2), resembles those of phenyl benzoate (PBA), 3-methyl-phenyl benzoate (3MePBA), 2,6-dichloro-phenyl benzoate (26DC-PBA) and other aryl benzoates, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings in 23DMPBA is 87.36 (6)°, compared with values of 55.7° in PBA, 79.61 (6)° in 3MePBA and 75.75 (10)° in 26DCPBA. The mol-ecules in 23DMPBA are packed into a chain-like structure in the direction of the a axis.

| S-EPMC2961320 | biostudies-literature

2,4-Dimethyl-phenyl benzoate.

Project description:The crystal structure of the title compound (24DMPBA), C(15)H(14)O(2), resembles those of 4-methyl-phenyl benzoate, 2,3-dimethyl-phenyl benzoate and other aryl benzoates, with similar bond parameters. The central -O-C-O- group in 24DMPBA makes dihedral angles of 85.81 (5) and 5.71 (13)°, respectively, with the benzoyl and phenyl rings, while the two aromatic rings form a dihedral angle of 80.25 (5)°. The mol-ecules are packed with their axes parallel to the a-axis direction.

| S-EPMC2961695 | 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