Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Ali BF

PROVIDER: S-EPMC3470387 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Ali Basem F BF Al-Far Rawhi R Haddad Salim F SF

Acta crystallographica. Section E, Structure reports online 20120929 Pt 10

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], bu ...[more]

PMID: 23125800

Similar Datasets

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

Project description: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.

| S-EPMC3120339 | 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

4,4'-Bipyridine-1,1'-diium 2,3,5,6-tetra-bromo-terephthalate dihydrate.

Project description:The title compound, C(10)H(10)N(2) (2+)·C(8)Br(4)O(4) (2-)·2H(2)O, consists of a tetra-bromo-terephthalate dianion, a 4,4'-bipyridinium dication and two solvent water mol-ecules. Crystallographic inversion centers are situated at the center of the aromatic ring of the dianion as well as at the midpoint of the carbon-carbon bond connecting the pyridine rings in the dication. In the crystal, inter-molecular N-H?O hydrogen-bonding inter-actions between tetra-bromo-terephthalate dianions and protonated 4,4'-bipyridinium dications result in the formation of a chain-like structure. Further O-H?O hydrogen bonds between carboxyl-ate O atoms and water mol-ecules lead to the formation of a two-dimensional network in the crystal structure.

| S-EPMC3201235 | 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

4,4'-Bipyridine-1,1'-diium bis-(1,3-benzo-thia-zole-2-thiol-ate).

Project description:In the title salt, C10H10N2(2+)·2C7H4NS2(-), the complete 4,4'-bipyridine-1,1'-diium dication is generated by a center of symmetry. In the crystal, N-H?N hydrogen bonds are observed between the cations and anions.

| S-EPMC3589027 | biostudies-literature

Crystal structure of 4,4'-bipyridine-1,1'-diium naphthalene-2,6-di-sulfonate dihydrate.

Project description:The title hydrated mol-ecular organic salt, C10H10N2 (2+)·C10H6O6S2 (2-)·2H2O, crystallized with half a bipyridinium cation, half a naphthalene-2,6-di-sulfonate anion and a water mol-ecule in the asymmetric unit. The whole cation and anion are generated by inversion symmetry, the inversion centers being at the center of the bridging C-C bond of the cation, and at the center of the fused C-C bond of the naphthalene group of the anion. In the crystal, the anions and cations stack alternately along the a axis with π-π inter-actions [inter-centroid distance = 3.491 (1) Å]. The anions are linked via O-H⋯O(sulfonate) hydrogen bonds involving two inversion-related water mol-ecules, forming chains along [10-1]. These chains are bridged by bifurcated N-H⋯(O,O) hydrogen bonds, forming a three-dimensional framework structure. There are also C-H⋯O hydrogen bonds present, reinforcing the framework structure.

| S-EPMC4186165 | 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

Redetermination of (2,2'-bipyridine-?N,N')dichlorido-palladium(II) dichloro-methane solvate.

Project description:In the title compound, [PdCl(2)(C(10)H(8)N(2))]·CH(2)Cl(2), the Pd(2+) ion is four-coordinated in a slightly distorted square-planar environment by two N atoms of the 2,2'-bipyridine (bipy) ligand and two chloride ions. The compound displays intra-molecular C-H?Cl hydrogen bonds and pairs of complex mol-ecules are connected by inter-molecular C-H?Cl hydrogen bonds. Inter-molecular ?-? inter-actions are present between the pyridine rings of the ligand, the shortest centroid-centroid distance being 4.096?(3)?Å. As a result of the electronic nature of the chelate ring, it is possible to create ?-? inter-actions to its symmetry-related counterpart [3.720?(2)?Å] and also with a pyridine ring [3.570?(3)?Å] of the bipy unit. The present structure is a redetermination of a previous structure [Vicente et al. (1997 ?). Private communication (refcode PYCXMN02). CCDC, Cambridge, England]. In the new structure refinement all H atoms were located in a difference Fourier synthesis. Their coordinates were refined freely, together with isotropic displacement parameters.

| S-EPMC2969654 | 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

1,1'-Bicyclo-hexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxyl-ate.

Project description:The title compound, C(24)H(26)N(2)O(4), lies about a crystallographic twofold rotation axis. The cyclo-hexane rings adopts a chair conformation. The two pyridine rings form a dihedral angle of 41.02?(4)°. In the crystal, mol-ecules are linked via C-H?O and C-H?N hydrogen bonds into a layer parallel to the bc plane.

| S-EPMC3379234 | biostudies-other

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