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-methyl-benzoate monohydrate.

ABSTRACT: 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.

SUBMITTER: Serb MD

PROVIDER: S-EPMC3007357 | 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-methyl-benzoate monohydrate.

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(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. ...[more]

PMID: 21588200

Similar Datasets

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

Project description: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.

| S-EPMC3007359 | biostudies-literature

[(4E)-3-Ethyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene]amino 3-methyl-benzoate.

Project description:In the title compound, C28H30N2O2, the piperidine ring exists in a chair conformation with an equatorial orientation of the phenyl rings and methyl group substituted on the heterocycle. In the crystal, C-H?? inter-actions result in chains of mol-ecules running parallel to the a-axis direction.

| S-EPMC3790411 | biostudies-literature

rac-4-Amino-1-(2-benzoyl-1-phenyl-eth-yl)-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:The title compound, C(18)H(18)N(4)OS, has an almost planar 1,2,4-triazole ring [r.m.s. deviation = 0.0036?(2)?Å], which makes dihedral angles of 78.5?(2) and 77.6?(11)° with the two phenyl rings. An intra-molecular N-H?S inter-action occurs. In the crystal, mol-ecules are linked by an inter-molecular three-centre N-H?(O,S) cyclic hydrogen-bonding inter-action.

| S-EPMC3051463 | biostudies-literature

Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-eth-yl]pyrrolidinium 2-amino-5-chloro-benzoate.

Project description:In the cation of the title mol-ecular salt, C13H20NO(+)·C7H5ClNO2 (-), the five-membered ring adopts a twisted conformation about one of the C-N bonds. The exocyclic N-C bond has an equatorial orientation. The dihedral angle between the five-membered ring (all atoms) and the benzene ring is 76.56 (19)°. In the anion, the dihedral angle between the carboxyl-ate group and the benzene ring is 18.57 (14)°, and an intra-molecular N-H⋯O hydrogen bond closes an S(6) ring. In the crystal, the components are linked by O-H⋯O and N-H⋯O hydrogen bonds, generating [100] chains.

| S-EPMC4571409 | biostudies-literature

Ethyl 4-amino-3-methyl-benzoate.

Project description:The asymmetric unit of the title compound, C(10)H(13)NO(2), contains two mol-ecules which are linked via an N-H⋯N hydrogen bonds to form a dimer. These dimers are further linked via N-H⋯O inter-molecular hydrogen bonds.

| S-EPMC2961301 | biostudies-literature

Crystal-structure studies of 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12-hydrate.

Project description:In this study, four new piperazinium salts, namely, 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, C9H9O3·C10H15N2·H2O (I); 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, C10H15N2·C8H7O3·H2O (II); 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate, C10H15N2·C8H7O2·H2O (III); and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12 hydrate, C10H15N2·C2F3O2·0.12H2O (IV), have been synthesized. The single-crystal structures of these compounds reveal that all of them crystallize in the triclinic P space group and the crystal packing of (I)-(III) is built up of ribbons formed by a combination of hydrogen bonds of type N-H⋯O, O-H⋯O and other weak inter-actions of type C-H⋯O and C-H⋯π, leading to a three-dimensional network. In the crystal of (IV), the cations and the anions are connected by C-H⋯O, N-H⋯O and C-H⋯F hydrogen bonds and by C-H⋯π inter-actions, forming sheets which in turn inter-act to maintain the crystal structure by linking through the oxygen atoms of water mol-ecules and van der Waals inter-actions, giving the whole structure.

| S-EPMC9260359 | biostudies-literature

rac-2-[2-(4-Fluoro-phen-yl)-2-oxo-1-phenyl-eth-yl]-4-methyl-3-oxo-N-phenyl-penta-namide.

Project description:The title compound, C(26)H(24)FNO(3), is a critical inter-mediate of a selective and competitive inhibitor of the enzyme 3-hy-droxy-3-methyl-glutaryl-coenzyme A (HMG-CoA) reductase. Inter-molecular N-H?O hydrogen bonding generates a chain along [give direction] that is the dominant inter-action in the crystal packing. Inter-molecular C-H?O inter-actions are also observed.

| S-EPMC3011484 | biostudies-literature

Methyl 2-[(methyl-sulfon-yl)(prop-yl)amino]benzoate.

Project description:The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol-ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581?(6):0.419?(6). Intra-molecular C-H?O inter-actions help to establish the mol-ecular conformations: in one mol-ecule, the dihedral angle between the methyl ester group and the benzene ring is 41.0?(2)°, whereas in the other mol-ecule it is 36.12?(17)°. In the crystal, mol-ecules are linked by inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC2980136 | biostudies-literature

rac-Ethyl 2-amino-3-hy-droxy-3-[4-(methyl-sulfon-yl)phen-yl]propano-ate.

Project description:In the title compound, C(12)H(17)NO(5)S, the orientations of the 2-ethyl-2-amino-3-hy-droxy-propano-ate group and the 4-methyl-sulfonyl moiety towards the aromatic ring are periplanar and (-)-anti-clinal, respectively. In the crystal packing, the dominant inter-action is O-H⋯N hydrogen bonding, which generates a chain running along [100]. N-H⋯O and C-H⋯O interactions are also observed.

| S-EPMC3051553 | biostudies-literature

rac-Diethyl 6-hy-droxy-4-[(2-hy-droxy-eth-yl)amino]-6-methyl-2-phenyl-cyclo-hex-3-ene-1,3-dicarboxyl-ate.

Project description:The title compound, C(21)H(29)NO(6), is chiral with three stereogenic centres. The crystal is a racemate and consists of enanti-omeric pairs with the relative configuration rac-(2R*,3S*,4R*). The ethyl fragment of the eth-oxy-carbonyl group at position 1 is disordered in a 0.60:0.40 ratio. The crystal packing displays inter-molecular O-H?O hydrogen bonding. An intra-molecular N-H?O hydrogen bond also occurs.

| S-EPMC3050247 | 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