Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Rac-2,2'-Bipiperidine-1,1'-diium dibromide.

ABSTRACT: In the title compound, C(10)H(22)N(2) (2+)·2Br(-), a precursor in the synthesis of organocatalysts, the bipiperidinium ion is located on a twofold rotation axis which passes through the mid-point of the central C-C bond. The piperidinium ring adopts a chair conformation. In the crystal, the cations are linked together by Br(-) ions through N-H?Br hydrogen bonds, forming layers parallel to the ab plane.

SUBMITTER: Laars M

PROVIDER: S-EPMC3120339 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

rac-2,2'-Bipiperidine-1,1'-diium dibromide.

Laars Marju M Ausmees Kerti K Kudrjashova Marina M Kanger Tõnis T Werner Franz F

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

In the title compound, C(10)H(22)N(2) (2+)·2Br(-), a precursor in the synthesis of organocatalysts, the bipiperidinium ion is located on a twofold rotation axis which passes through the mid-point of the central C-C bond. The piperidinium ring adopts a chair conformation. In the crystal, the cations are linked together by Br(-) ions through N-H⋯Br hydrogen bonds, forming layers parallel to the ab plane. ...[more]

PMID: 21754721

Similar Datasets

Redetermination of 2,2'-bipyridine-1,1'-diium dibromide.

Project description:In the title mol-ecular salt, C(10)H(10)N(2) (2+)·2Br(-), the dihedral angle between the aromatic rings is 20.83?(14)° and the N-H groups have a transoid conformaton [N-C-C-N = 158.5?(3)°]. In the crystal, the cations are linked to the anions by two N-H?Br and five C-H?Br hydrogen bonds, generating corrugated sheets incorporating R(2) (1)(7), R(4) (2)(10), R(4) (2)(11) and two different R(4) (2)(12) loops. This structure was originally reported by Nakatsu et al. [Acta Cryst (1972), A28, S24], but no atomic coordinates are available.

| S-EPMC3470387 | biostudies-literature

(2R,2'S)-2,2'-Bi-piperidine-1,1'-diium dibromide.

Project description:The title compound, C10H22N2 (2+)·2Br(-), was synthesized via reduction of 2,2'-dipyridyl with Ni-Al alloy/KOH, followed by separation of diastereoisomers (meso and rac) by recrystallization from ethanol. Although the two bridging C atoms are optically active, these two chiral centers adopt an (S,R) configuration; thus, the title compound contains an achiral meso form of 2,2'-bi-piperidine. Both of the piperidinium rings adopt chair conformations, and the two N atoms are trans to each other; an inversion center is located in the mid-point of the central C-C bond. The conformation of the organic moiety resembles that of 1,1'-bi(cyclo-hexa-ne). The organic di-ammonium cations are linked to each other through hydrogen bonding with bromide counter-ions, each of which forms two hydrogen bonds (N-H?Br) with two adjacent organic cations, thus linking the latter together in sheets parallel to (100).

| S-EPMC3884359 | biostudies-literature

2,2'-Bipyrimidine-1,1'-diium bis-(tri-iodide)-2,2'-bipyrimidine-water (1/2/2).

Project description:In the crystal of the title compound, C(8)H(8)N(4) (2+)·2I(3) (-)·2C(8)H(6)N(4)·2H(2)O, inversion centres are located at the centroids of the central C-C bonds of the cation and the bpym mol-ecules, as well as at the central I atoms of both anions. Inter-molecular O-H?N and N-H?O hydrogen bonds are observed in the crystal structure.

| S-EPMC3201360 | biostudies-literature

Crystal structure of 2,2'-bi-pyridine-1,1'-diium tetra-chlorido-zincate.

Project description:In the crystal structure of the title salt, (C10H10N2)[ZnCl4], the bi-pyridine-diium dication is not planar, with a dihedral angle of 37.21 (9)° between the planes of the two pyridine rings. In the crystal, the slightly distorted [ZnCl4](2-) anions are packed into rods parallel to [001], with the organic cations arranged in corrugated layers parallel to (100). Cations and anions are linked through N-H⋯Cl hydrogen bonds, forming chains parallel to [20-1]. Additional C-H⋯Cl inter-actions consolidate the crystal packing.

| S-EPMC4350760 | biostudies-literature

1,1',2,2'-Tetra-methyl-3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium dibromide.

Project description:The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2Br(-), has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions with the major component having a site occupancy of 0.712?(4); the N-bound methyl substituents are ordered. The imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 80.7?(5)° for the major disorder component and 89.8?(3)° for the other; the two components are off-set by 10.1?(6)°].

| S-EPMC2977381 | biostudies-literature

1,4-Dimethyl-piperazine-1,4-diium dibromide dihydrate.

Project description:In the title hydrated mol-ecular salt, C(6)H(16)N(2) (2+)·2Br(-)·2H(2)O, the complete 1,4-dimethyl-piperazine-1,4-diium dication is generated by crystallographic inversion symmetry and both exocyclic C-N bonds are in equatorial orientations. In the crystal, the components are linked by N-H?O and O-H?Br hydrogen bonds, generating chains propagating in [110].

| S-EPMC3379296 | biostudies-literature

rac-2,2'-Bis(diphenyl-phosphan-yl)-1,1'-binaphth-yl: a racemic diphosphine ligand.

Project description:The asymmetric unit of the title compound, C(44)H(32)P(2), conventionally abbreviated BINAP, is one half of the complete chiral BINAP mol-ecule, which adopts a C2 crystallographic point-group symmetry with a twofold axis splitting the mol-ecule in two identical halves; a center of symmetry between mol-ecules further determines the racemic pairs. There are no obvious supra-molecular inter-actions between adjacent BINAP mol-ecules.

| S-EPMC3393302 | biostudies-literature

3,3'-Dibenzyl-1,1'-ethyl-enediimidazolium dibromide.

Project description:In the title compound, C(22)H(24)N(4) (2+)·2Br(-), the imidazolium dication is located on a crystallographic inversion center. The imidazole and benzene rings make a dihedral angle of 73.1 (9)°. In the crystal, non-classical inter-molecular C-H⋯Br hydrogen bonds link the ion pairs into a two-dimensional network.

| S-EPMC3008002 | biostudies-literature

2,2'-Ethyl-enediisoquinolinium dibromide dihydrate.

Project description:In the title compound, C(20)H(18)N(2) (2+)·2Br(-)·2H(2)O, the complete dication is generated by a crystallographic centre of symmetry. In the crystal, O-H?Br, C-H?Br and C-H?O hydrogen bonds and ?-? stacking [shortest centroid-centroid separation = 3.657?(2)?Å] help to establish the packing.

| S-EPMC2971299 | biostudies-literature

1,1'-Dimethyl-1,1'-(butane-1,4-di-yl)dipyrrolidinium dibromide methanol disolvate.

Project description:In the title compound, C(14)H(30)N(2) (2+)·2Br(-)·2CH(3)OH, two terminal C atoms of the butane chain are connected to two N atoms of the 1-methyl-pyrollidines, forming a linear diquaternary ammonium cation. The cation lies across a centre of inversion located between the two central C atoms of the butane chain. The asymmetric unit therefore comprises one half-cation, a bromide anion and a methanol solvent mol-ecule. In the crystal structure, the bromide anions are linked to the methanol solvent mol-ecules by O-H⋯Br hydrogen bonds.

| S-EPMC2960454 | 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