Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Dibenzyl-N,N,N',N'-tetra-methyl-ethylenediammonium dibromide dihydrate.

ABSTRACT: In the title compound, C(20)H(30)N(2) (2+)·2Br(-)·2H(2)O, the asymmetric unit consists of half of the N,N'-dibenzyl-N,N,N',N'-tetra-methyl-ethylenediammonium cation lying across an inversion center, a bromide ion and a water mol-ecule of solvation. There is an eight-membered dibromide dihydrate ring, which is formed via hydrogen bonds of the type O-H⋯Br.

SUBMITTER: Lin J

PROVIDER: S-EPMC2915199 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-Dibenzyl-N,N,N',N'-tetra-methyl-ethylenediammonium dibromide dihydrate.

Lin Junyue J Xu Yaping Y Shi Taqing T Liu Dongsheng D Chen Wentong W

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(20)H(30)N(2) (2+)·2Br(-)·2H(2)O, the asymmetric unit consists of half of the N,N'-dibenzyl-N,N,N',N'-tetra-methyl-ethylenediammonium cation lying across an inversion center, a bromide ion and a water mol-ecule of solvation. There is an eight-membered dibromide dihydrate ring, which is formed via hydrogen bonds of the type O-H⋯Br. ...[more]

PMID: 21200693

Similar Datasets

1,1,4,4-Tetra-methyl-piperazinediium dibromide.

Project description:A small quantity of the title compound, C(8)H(20)N(2) (2+)·2Br(-), was formed as a by-product in a reaction between a diamine and an alkyl bromide. The asymmetric unit contains half of a centrosymmetric dication and a bromide anion. In the crystal, weak inter-molecular C-H⋯Br hydrogen bonds consolidate the crystal packing.

| S-EPMC2971288 | biostudies-literature

Hexakis(1-methyl-1H-imidazole-κN)cobalt(II) dibromide dihydrate.

Project description:The asymmetric unit of the title compound, [Co(C(4)H(6)N(2))(6)]Br(2)·2H(2)O, contains one-half of the centrosymmetric cation, one Br atom and one water mol-ecule. The Co(II) atom, lying on an inversion center, has a distorted octa-hedral geometry, defined by six N atoms from six 1-methyl-imidazole ligands. In the crystal structure, intra- and inter-molecular O-H⋯Br hydrogen bonds link pairs of uncoordinated water mol-ecules and bromide anions.

| S-EPMC2968233 | biostudies-literature

(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)nickel(II) dibromide dihydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, consists of one half [Ni(C(16)H(32)N(4))](2+) cation, one Br(-) anion and one water mol-ecule of crystallization. The Ni(II) ion lies on an inversion centre in a square-planar environment formed by the four macrocyclic ligand N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via inter-molecular N-H⋯Br and O-H⋯Br hydrogen bonds, forming discrete chains with set-graph motif D(2)D(2) (2)(7)D(2) (1)(3)D(3) (2)(8). The water mol-ecules and Br(-) ions are linked with set-graph motif R(4) (2)(8).

| S-EPMC2983119 | biostudies-literature

meso-[5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-1(14),7-diene]nickel(II) dibromide dihydrate.

Project description:The asymmetric unit of the title complex, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, contains two [Ni(C(16)H(32)N(4))](2+) cations, four Br(-) anions and four uncoordinated H(2)O mol-ecules. The Ni atoms are in a slightly distorted square-planar coordination by the four macrocyclic N atoms, which are almost coplanar [N-N-N-N torsion angles of 2.97 (6) and 3.12 (7)°]. In the crystal, a network of N-H⋯Br, O-H⋯Br and N-H⋯O hydrogen bonds leads to the formation of a chain structure.

| S-EPMC2979623 | 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

Tetra-methyl-ammonium hemi(terephthalate) dihydrate.

Project description:In the title compound, (CH(3))(4)N(+)·0.5C(8)H(4)O(4) (2-)·2H(2)O, the complete terephthalate dianion is completed by twofold symmetry and has a dihedral angle of 23.5 (2)° between the carboxyl-ate group and its parent ring. Two independent water mol-ecules serve as both donors and acceptor in the construction of undulating hydrogen-bonded host layers with various O-H⋯O contacts ocurring between the anion and two water mol-ecules. At the same time, the tetra-methyl-ammonium cations, as the sphere-like guest species, are arranged in two rows between neighboring host layers, with an approximate inter-layer distance of 7.36 Å, forming a sandwich-like crystal structure.

| S-EPMC3151964 | 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 π-π stacking [shortest centroid-centroid separation = 3.657 (2) Å] help to establish the packing.

| S-EPMC2971299 | biostudies-literature

Octane-1,8-diyldipyridinium dibromide dihydrate.

Project description:The asymmetric unit of the title compound, C(18)H(26)N(2) (2+)·2Br(-)·2H(2)O, consists of one-half of the organic cation, one Br(-) anion and one water mol-ecule. The organic cation is situated on a centre of inversion. The dihedral angle between the pyridine ring and the plane of the central linkage is 59.3 (1)°. The cations, anions and water mol-ecules are linked via O-H⋯Br, C-H⋯Br and C-H⋯O hydrogen bonds, forming a three-dimensional framework.

| S-EPMC2915246 | 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

Crystal structure of tetra-methyl-tetra-thia-fulvalenium (1S)-camphor-10-sulfonate dihydrate.

Project description:Electro-oxidation of tetra-methyl-tetra-thia-fulvalene (TMTTF) in the presence of the chiral anion (1S)-camphor-10-sulfonate (S-camphSO3 (-)) in tetra-hydro-furan/water medium afforded a 1/1 salt formulated as TMTTF·S-camphSO3·2H2O or 2-(4,5-dimethyl-1,3-di-thiol-2-yl-idene)-4,5-dimethyl-1,3-di-thiole radical ion (1+) [(1S)-7,7-dimethyl-2-oxobi-cyclo-[2.2.1]heptan-1-yl]methane-sulfonate dihydrate, C10H12S4 (+)·C10H15O4S(-)·2H2O. In this salt, two independent TMTTF units are present but, in both cases, the observed bond lengths and especially the central C=C distance [1.392 (6) and 1.378 (6) Å] are in agreement with a complete oxidation of TMTTF which is thus present as TMTTF (.) (+) radical cations. These cations form one-dimensional stacks in which they are associated two by two, forming dimers with short [3.472 (1) to 3.554 (2) Å] S⋯S contacts. The two S-camphSO3 anions present also form stacks and are connected with each other via the water mol-ecules with many O-H⋯O hydrogen bonds ranging from 1.86 (3) to 2.15 (4) Å; the O-H⋯O hydrogen-bonding network can be described as being constituted of C 2 (2)(6) chains bearing R 3 (3)(11) lateral rings. On the other hand, the columns of cations and anions are connected through C-H⋯O hydrogen bonds, forming a system expanding in three directions; finally, the result is a three-dimensional network of O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC4518967 | 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