Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,1',2,2',3,3',4,4'-Octa-methyl-ferro-cenium 2,5-dibromo-4-hy-droxy-3,6-dioxocyclo-hexa-1,4-dien-1-olate.

ABSTRACT: In the title salt, octa-methyl-ferrocenium bromanilate, [Fe(C(9)H(13))(2)](C(6)HBr(2)O(4)), the Fe atom and the bromanilate anion lie on a mirror plane. The octa-methyl-ferrocenium cation adopts an eclipsed conformation. An intra-molecular O-H?O hydrogen bond is present in the bromanilate anion. In the crystal, the cations and anions are stacked alternately, forming a one-dimensional columnar structure along [010].

SUBMITTER: Mochida T

PROVIDER: S-EPMC3212108 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,1',2,2',3,3',4,4'-Octa-methyl-ferro-cenium 2,5-dibromo-4-hy-droxy-3,6-dioxocyclo-hexa-1,4-dien-1-olate.

Mochida Tomoyuki T

Acta crystallographica. Section E, Structure reports online 20110702 Pt 8

In the title salt, octa-methyl-ferrocenium bromanilate, [Fe(C(9)H(13))(2)](C(6)HBr(2)O(4)), the Fe atom and the bromanilate anion lie on a mirror plane. The octa-methyl-ferrocenium cation adopts an eclipsed conformation. An intra-molecular O-H⋯O hydrogen bond is present in the bromanilate anion. In the crystal, the cations and anions are stacked alternately, forming a one-dimensional columnar structure along [010]. ...[more]

PMID: 22090810

Similar Datasets

2,5-Dibromo-pyridine.

Project description:In the title compound, C(5)H(3)Br(2)N, C-H⋯N hydrogen-bonding inter-actions and Br⋯Br inter-actions [3.9418 (3) and 3.8986 (3) Å] connect the mol-ecules into planar sheets stacked perpendicular to the b axis. In addition, pyrid-yl-pyridyl inter-sheet π-π stacking inter-actions [centroid-centroid distance = 4.12 (1) Å] result in a three-dimensional network.

| S-EPMC2969055 | biostudies-literature

Methyl 1-{4-[(S)-2-(meth-oxy-carbon-yl)pyrrolidin-1-yl]-3,6-dioxocyclo-hexa-1,4-dien-1-yl}pyrrolidine-2-carboxyl-ate.

Project description:The complete mol-ecule of the title diproline ester quinone, C(18)H(22)N(2)O(6), is generated by a crystallographic twofold axis, which passes through the centre of the benzene ring. Both -CO(2)Me groups are orientated to the same side of the benzene ring, with the carbonyl groups pointing roughly towards each other. The conformation of the proline residue is an envelope. In the crystal, a three-dimensional network is sustained by C-H?O inter-actions involving both the quinone and carbonyl O atoms.

| S-EPMC3007373 | biostudies-literature

(3,6-Dibromo-o-phenyl-ene)dimethanol.

Project description:The title compound, C(8)H(8)Br(2)O(2), was synthesized from the hydrolysis of 1,4-dibromo-2,3-bis-(bromo-meth-yl)benzene. One intra-molecular O-H⋯O and two intra-molecular C-H⋯Br inter-actions occur. In the crystal, mol-ecules are linked into a chain running parallel to [010]. Adjacent chains are linked into a two-dimensional layer by a combination of inter-molecular O-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3051438 | biostudies-literature

3,6-Dibromo-phenanthrene.

Project description:The phenanthrene ring in the title compound, C(14)H(8)Br(2), is approximately planar [maximum deviation = 0.039?(3)?Å]. In contrast, the two bromo atoms are displaced slightly from the phenanthrene plane [maximum deviation = 0.1637?(3)?Å]. In the crystal, the mol-ecules adopt a herringbone-like arrangement and form face-to-face slipped ?-? stacking inter-actions along the b axis, with an inter-planar distance of 3.544?(3)?Å and slippage of 1.81?Å. The crystal studied was a racemic twin with a minor twin fraction of 0.390?(10).

| S-EPMC3515201 | biostudies-other

Triflic acid-mediated rearrangements of 3-methoxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-ones: synthesis of methoxytropolones and furans.

Project description:Methoxytropolones are useful scaffolds for therapeutic development because of their known biological activity and established value in the synthesis of α-hydroxytropolones. Upon treatment with triflic acid, a series of 3-methoxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-ones rearrange rapidly and cleanly to form methoxytropolones. Interestingly, bicycles that are derived from dimethyl acetylenedicarboxylate (R(2) = R(3) = CO2Me) instead form furans as the major product.

| S-EPMC3909939 | biostudies-literature

2,5-Dibromo-terephthalic acid dihydrate.

Project description:The asymmetric unit of the title compound, C(8)H(4)Br(2)O(4)·2H(2)O, contains one half-mol-ecule of 2,5-dibromo-terephthalic acid (DBTA) and one water mol-ecule. The DBTA mol-ecule is centrosymmetric. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming a three-dimensional framework.

| S-EPMC2960662 | biostudies-literature

2,5-Dibromo-indan-1-ol.

Project description:In the title compound, C(9)H(8)Br(2)O, the cyclo-pentene ring adopts an envelope conformation with the brominated C atom as the flap. In the crystal, mol-ecules are linked by strong O-H⋯O hydrogen bonds into zigzag C(4) chains along [010]. In addition, a C-H⋯π inter-action involving the benzene ring and the H atom attached to the hy-droxy-lated C atom is observed.

| S-EPMC3435824 | biostudies-literature

1,4-Dibromo-2,5-dibut-oxy-benzene.

Project description:The asymmetric unit of the title compound, C(14)H(20)Br(2)O(2), contains one half-mol-ecule located on an inversion centre. The mol-ecule is essentially planar, with a maximum deviation from the best plane of the non-H atoms of 0.054?(2)?Å for the O atoms. The but-oxy group adopts a fully extended all-trans conformation. In the crystal, mol-ecules are connected via C-Br?O halogen bonds [Br?O = 3.2393?(19)?Å] into a two-dimensional corrugated network in the bc plane.

| S-EPMC3435705 | biostudies-literature

2,5-Dichloro-3,6-diisopropyl-cyclo-hexa-2,5-diene-1,4-dione.

Project description:The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014 (4) Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811 (2) Å. Neighboring mol-ecules within the stack are related by the c-glide plane.

| S-EPMC3435695 | biostudies-literature

meso-3,6-Dioxopiperazine-2,5-diacet-amide.

Project description:The title compound, C(8)H(12)N(4)O(4), was obtained by cyclization of the two l-asparagine mol-ecules and reveals a crystallographic inversion symmetry, and accordingly the two stereogenic centres are of opposite chirality. Thus, an asymmetric unit comprises a half of a mol-ecule. The mol-ecules are assembled into a three-dimensional hydrogen-bonding network by N-H?O hydrogen bonds.

| S-EPMC3247435 | 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