Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 1,1'-bis-(2-meth-oxy-carbonyl-2-methyl-prop-yl)ferrocene.

ABSTRACT: The Fe atom in the title ferrocene derivative, [Fe(C11H15O2)2], is situated on an inversion centre. As a result of the point-group symmetry -1 of the mol-ecule, the ferrocene moiety adopts a staggered conformation. The average Fe-C(Cp) bond length (Cp is cyclo-penta-dien-yl) is 2.045?(4)?Å, in agreement with that of other disubstituted ferrocenes. The Fe-C bond length involving the substituted C atom is slightly longer [2.0521?(17)?Å] than the remaining Fe-C bond lengths caused by the inductive effect of the methyl-ene group on the Cp ring. Apart from van der Waals forces, no significant inter-molecular inter-actions are observed in the crystal packing.

SUBMITTER: Guo YF

PROVIDER: S-EPMC4719839 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Similar Datasets

1,1'-Bis[bis-(4-meth-oxy-phen-yl)phosphan-yl]ferrocene.

Project description:In the crystal structure of the title substituted ferrocene complex, [Fe(C??H??O?P)?], the Fe(II) atom lies on a twofold rotation axis, giving an eclipsed cyclo-penta-dienyl conformation with a ring centroid separation of 3.292?(7)?Å and an Fe-C bond-length range of 2.0239?(15)-2.0521?(15)?Å. In the ligand, the cyclo-penta-dienyl ring forms dihedral angles of 60.36?(6) and 82.93?(6)° with the two benzene rings of the diphenyl-phosphine group, while the dihedral angle between the benzene rings is 67.4?(5)°.

| S-EPMC3393188 | biostudies-literature

1,1'-Bis[bis-(4-tert-butyl-phen-yl)meth-yl]ferrocene.

Project description:The molecule of the title compound, [Fe(C26H31)2], is located on an inversion center. The two cyclopentadienyl rings exhibit a staggered conformation, which results from the bulky bis(4-tert-butylphenyl)methyl substituents situated on opposite sides of the molecule.

| S-EPMC3588715 | biostudies-literature

(R)-2,2'-Bis(meth-oxy-meth-oxy)-1,1'-binaphth-yl.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains two independent mol-ecules in both of which the naphthalene ring systems adopts a transoid arrangement. The dihedral angles between the naphthalene ring system in the two mol-ecules are 83.0 (1) and 89.0 (1)°. There are slight differences in the C(H(3))-O-C(H(2))-O- torsion angles of the eqivalent meth-oxy-meth-oxy groups. In the crystal, weak C-H⋯O hydrogen bonds are present.

| S-EPMC3344493 | biostudies-literature

2,2'-Bis(meth-oxy-meth-oxy)-3-methyl-1,1'-binaphth-yl.

Project description:The title compound, C(25)H(24)O(4), a meth-oxy-methyl (MOM) bis-protected BINOL derivative containing a methyl substituent in position 3, is a key inter-mediate for the synthesis of a great variety of chiral auxiliaries. The planes of the naphthyl aromatic rings are at an angle of 70.74?(3)°. There are no conventional hydrogen bonds binding the mol-ecules.

| S-EPMC3200832 | biostudies-other

1-(Diphenyl-phosphinothio-yl)-2-[(4-methyl-phen-yl)meth-oxy-meth-yl]ferrocene.

Project description:Following our continuing inter-est in developing new chiral phosphine-containing ferrocenyl ligands, we synthesized the title compound, [Fe(C(5)H(5))(C(26)H(24)OPS)], in which there are two nearly identical mol-ecules in the asymmetric unit. The conformation of the cyclo-penta-dienyl (Cp) rings in each ferrocenyl group are inter-mediate between eclipsed and staggered, with twist angles of 16.6?(2) and 8.9?(2)°. The protecting S atom is located endo with respect to the substituted Cp ring. In the crystal, mol-ecules are connected through inter-molecular C-H?? inter-actions.

| S-EPMC3009340 | biostudies-literature

Crystal structure of bis-(2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)manganese(IV) 0.39-hydrate.

Project description:The title compound, [Mn(C12H15NO5)2]·0.39H2O, is a 0.39 hydrate of the isostructural complex bis-(2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)manganese(IV) that has previously been reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941-947], based on room-temperature data. The current structure that was determined at 100 K reveals a lengthening of the c cell parameter compared with the published one due to the incorporation of the partial occupancy water mol-ecule. The title compound crystallizes in the tetra-gonal chiral space group P41212; the neutral [Mn(IV)(C12H15NO5)2] mol-ecule is situated on a crystallographic C 2 axis. The overall geometry about the central manganese ion is octa-hedral with an N2O4 core; each ligand acts as a meridional ONO donor. The coordination environment of Mn(IV) at 100 K displays a difference in one of the two Mn-O bond lengths, compared with the room-temperature structure. In the crystal, the neutral mol-ecules are stacked in a helical fashion along the c-axis direction.

| S-EPMC4645066 | biostudies-literature

1,4-Bis(1,1-dimethyl-prop-yl)-2,5-dimeth-oxy-benzene.

Project description:The title compound, C(18)H(30)O(2), was prepared by Friedel-Crafts alkyl-ation of 1,4-dimeth-oxy-benzene with 2-methyl-2-butanol. The complete mol-ecule is generated by the application of a crystallographic centre of inversion. The two meth-oxy groups are oriented in the same plane of the aromatic ring [C-C-O-C torsion angle = 9.14?(16)°]. While one methyl group of the tert-pentyl substituent is coplanar with the benzene ring [C-C-C-C = 0.45?(15)°] and lies towards the less-hindered H atom, the other methyl and ethyl groups are directed to either side of the benzene ring [C-C-C-C torsion angles = 118.78?(12) and 59.11?(14)°, respectively]. In the crystal, the hydro-phobic mol-ecules pack to form a brick-wall-like architecture.

| S-EPMC3201239 | biostudies-literature

Bis{?-2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}bis-({2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}copper(II)).

Project description:The title compound, [Cu2(C9H10NO2)4], is built of discrete centrosymmetric dimers. The Cu(II) atoms are each five coordinated by two deprotonated Schiff base ligands that are bonded differently to the metal atoms. Of the two phenolate O atoms, one is coordinated to one Cu(II) atom, whereas another bridges the two metal atoms. The basal plane of the square pyramid around Cu(II) atoms is formed by the imino N and phenolate O atoms of the bidentate and the monodentate/bidentate Schiff base ligands. The bridging phenolate oxygen occupies the apical position of the coordination sphere with a considerably longer Cu-O bond length. In the crystal, the dimeric mol-ecules pack relative to each other in such a way that the Cu2O2 planes of adjacent dimers are orthogonal.

| S-EPMC3790358 | biostudies-literature

Crystal structure of bis-{?-2-[(di-methyl-amino)-meth-yl]ferrocene-seleno-lato}bis[chlorido-palladium(II)].

Project description:The dinuclear title compound, [PdCl{Se[(C5H5)Fe(C5H3)2CH2N(CH3)2]}]2 was obtained by the reaction of [PdCl2(NCPh)2] with 2-[(N,N'-di-methyl-amino)-meth-yl]ferro-cene-seleno-late and the crystals for the structure determination were grown from a mixture of THF and n-hexane. Both Pd(II) atoms are coordinated by the bridging Se atoms and by the amino N atoms of the bidentate 2-[(N,N'-di-methyl-amino)-meth-yl]ferrocene-seleno-late ligand, as well as by Cl atoms, and show a distorted square-planar coordination. The angle between the Pd-Se-Se planes of the two Pd atoms is 149.31?(3)°. Weak Cl?H hydrogen bonds link the binuclear complexes into a three-dimensional network.

| S-EPMC4257227 | biostudies-literature

1,1'-Bis(1-acetyl-5-methyl-1H-pyrazol-3-yl)ferrocene.

Project description:The title compound, [Fe(C(11)H(11)N(2)O)(2)], crystallizes with two independent mol-ecules in the asymmetric unit which have have different conformations. In one mol-ecule, the two ferrocene cyclo-penta-dienyl rings are fully eclipsed and the two pyrazole rings are syn to each other; in the other, the two cyclo-penta-dienyl rings are synclinal and the pyrazole rings are anti. In both mol-ecules, the acetyl group attached to the pyrazole ring is oriented away from the iron-cyclo-penta-dienyl group of ferrocene.

| S-EPMC3246958 | 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