Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(S,R,Rp)-N,N-Dimethyl-1-{2-[(1-phenyl-ethyl)amino-meth-yl]ferrocen-yl}ethanamine.

ABSTRACT: The title chiral ferrocene compound, [Fe(C(5)H(5))(C(18)H(25)N(2))], contains one planar and two central chiral centers. It is of inter-est with respect to asymmetric catalysis. The absolute configuration of the planar chirality is Rp at the ferrocene group and those of the two C chiral centers are R at the CH carbon of the ethanamine unit and S at the CH carbon of the phenyl-ethyl-amino substituent. In the ferrocenyl unit, the cyclo-penta-dienyl (Cp) rings are planar, with maximum deviations of 0.002 (2) Å for the substituted and 0.008 (3) Å for the unsubstituted Cp ring. The dihedral angle between the ring planes is 2.12 (15)° and the rings are twisted slightly from an eclipsed conformation by 7.06-7.60°.

SUBMITTER: Zheng XL

PROVIDER: S-EPMC2968963 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-(Dimethyl-amino-meth-yl)phenyl phenyl telluride.

Project description:The title compound, C(15)H(17)NTe, is a heteroleptic Te, N-bidentate ligand having a short Te?N contact [2.8079?(16)?Å] involving a secondary bonding inter-action between the amino N and Te(II) atoms. The Te-C bond [2.136?(2)?Å] trans to the amino group is slightly elongated compared to the other Te-C bond [2.1242?(18)?Å] due to the hypervalent inter-action. The bond angle for the trans N-Te-C atoms [164.92?(6)°] deviates significantly from linearity.

| S-EPMC2970312 | biostudies-literature

Dibromidochlorido{2-[(dimethyl-amino)-meth-yl]phenyl-?N,C}tellurium(IV).

Project description:The title compound, C(9)H(13)Br(2)ClNTe, was synthesized by reacting [2-(dimethyl-amino-meth-yl)phen-yl]tellurium(II) chlor-ide with Br(2). As a consequence, the Cl and Br atoms are not well ordered but distributed over the three possible positions such that the overall stiochiometry is two Br atoms and one Cl atom. The scrambling of the Br and Cl atoms indicates a small energy barrier for the exchange process between the apical and equatorial positions. Overall, the Te atom geometry is slightly distorted square pyramidal (? = 0.052 for the major component). However, there is a weak secondary inter-action between the Te atoms and the disordered Br/Cl atoms of a nearby mol-ecule. The Te-Br and Te-Cl distances in both disorder components fall into two groups; a longer distance for the Br/Cl involved in this secondary inter-action [2.6945?(17)?Å for Br and 2.601?(9)Å for Cl] and shorter bond distances to the remaining halogen atoms, indicating that this inter-action has slightly weakened the Te-X bond, as is the case in the previously reported tribromido structure [Singh et al. (1990). J. Chem. Soc. Dalton Trans. pp. 907-913]. Otherwise, the metrical parameters in the two structures are not significantly different. An intermolecular C-H?Br interaction occurs.

| S-EPMC3254549 | biostudies-literature

rac-{[2-(Diphenyl-thio-phosphor-yl)ferrocen-yl]meth-yl}dimethyl-ammonium diphenyl-dithio-phosphinate.

Project description:2-(Diphenyl-thio-phosphino)dimethyl-amino-methyl-ferrocene is a key inter-mediate in the synthesis of various ferrocenyl ligands. During one such synthesis, the title compound, [Fe(C(5)H(5))(C(20)H(22)NPS)](C(12)H(10)PS(2)), was isolated as a by-product. It is built up by association of (2-(diphenyl-phosphino)ferrocen-yl)meth-yl)dimethyl-ammonium cations and diphenyl-phosphino dithio-ate anions. N-H?S, C-H?S and C-H?? inter-actions link the anions and cations. Each anion-cation pair is linked two by two through C-H?? inter-actions, forming pseudo dimers.

| S-EPMC3343798 | biostudies-literature

Ferrocen-yl(meth-yl)diphenyl-silane.

Project description:In the title mol-ecule, [Fe(C(5)H(5))(C(18)H(17)Si)], the distances of the Fe atom from the centroids of the unsubstituted and substituted cyclo-penta-dienyl (Cp) rings are 1.651?(1) and 1.646?(1)?Å, respectively. The dihedral angle between the two Cp rings is 3.20?(17)°. The crystal packing is mainly stabilized by van der Waals forces.

| S-EPMC3089205 | biostudies-literature

Bis{2-[2-(dimethyl-amino)ethyl-imino-meth-yl]-4,6-disulfanylphenolato}cobalt(II) monohydrate.

Project description:In the title hydrated complex, [Co(C(11)H(15)N(2)OS(2))(2)]·H(2)O, the Co(II) atom (site symmetry 2) is coordinated by two O,N,N'-tridentate Schiff base ligands, resulting in a very distorted cis-CoO(2)N(4) octa-hedral geometry for the metal ion. In the crystal, the water mol-ecule (O-atom site symmetry 2) inter-acts with nearby complex mol-ecules by way of bifurcated O-H?(O,S) hydrogen bonds.

| S-EPMC2970116 | biostudies-literature

Diazido-{(S)-1-phenyl-N,N-bis-[(2-pyrid-yl)meth-yl]ethanamine}-copper(II).

Project description:In the title compound, [Cu(N(3))(2)(C(20)H(21)N(3))], the Cu(II) ion is coordinated by the three N atoms of the (S)-1-phenyl-N,N-bis-[(2-pyrid-yl)meth-yl]ethanamine ligand and two N atoms from two azide anions, resulting in a distorted square-pyramidal environment. A weak inter-molecular C-H?N hydrogen-bonding inter-action between one pyridine group of the ligand and an azide N atom of an adjacent complex unit gives a one-dimensional chain structure parallel to the c axis.

| S-EPMC3152144 | biostudies-literature

Crystal structure of {[1'-(di-phenyl-phosphino)ferrocen-yl]meth-yl}di-methyl-ammonium chloride monohydrate.

Project description:Individual ions and the solvating water mol-ecule constituting the structure of the title compound, [Fe(C8H13N)(C17H14P)]Cl·H2O, assemble into dimeric units located around crystallographic inversion centers via N-H?Cl and O-H?Cl hydrogen bonds. These discrete fragments are further inter-connected into chains by C-H?O inter-actions. The disubstituted ferrocene core in the {[1'-(di-phenyl-phosphino)ferrocen-yl]meth-yl}di-methyl-ammonium cation has an approximate synclinal eclipsed conformation and is tilted by 3.40?(11)°.

| S-EPMC5730313 | biostudies-literature

2-{[(2-Hy-droxy-3,5-dimethyl-benz-yl)(meth-yl)amino]-meth-yl}-4,6-dimethyl-phenol.

Project description:In the title compound, C(19)H(25)NO(2), the dihedral angle between the benzene rings is 53.15?(8)°. One of the -OH groups forms an intra-molecular O-H?N link, generating an S(6) ring. The other -OH group forms an inter-molecular O-H?N hydrogen bond in the crystal, generating centrosymmetric R(2) (2)(20) loops.

| S-EPMC3379400 | biostudies-literature

[N-((E)-2-{[2-(Dimethyl-amino)-eth-yl]imino-meth-yl}phen-yl)-N-(2,6-dimethyl-phen-yl)anilinido-κN,N',N'']ethyl-zinc.

Project description:The title eth-yl-zinc complex, [Zn(C(2)H(5))(C(19)H(24)N(3))], bears a tridentate anilinide-aldimine ligand and features one long Zn-N(amine) bond length, attributable to the crowded environment of the coordinated metal, arising from the dimethyl-phenyl group. The Zn(II) ion adopts a distorted tetra-hedral geometry, the dihedral angle between the two benzene rings being 86.05 (16)°.

| S-EPMC3052042 | biostudies-literature

[(4-Dimethyl-amino-2-methyl-5-phenyl-furan-3-yl)meth-yl]diethyl-methyl-aza-nium iodide.

Project description:In the title compound, C(19)H(29)N(2)O(+)·I(-), the dihedral angle between the mean planes of the essentially planar furan (r.m.s. deviation = 0.007?Å) and phenyl rings is 48.4?(1)°. In the crystal, cations and anions are arranged in layers lying parallel to (100).

| S-EPMC3201454 | 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