Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Karna M

PROVIDER: S-EPMC2971288 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Kärnä Minna M Lahtinen Manu M Valkonen Jussi J

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

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. ...[more]

PMID: 21578525

Similar Datasets

(2R)-2-Methyl-piperazinediium tetra-chloridocuprate(II).

Project description:In the title compound, (C(5)H(14)N(2))[CuCl(4)], the copper(II) ion has a slightly tetra-hedrally distorted square-planar coordin-ation geometry and the diprotonated piperazine ring adopts a chair conformation. In the crystal structure, cations and anions are linked by inter-molecular N-H?Cl hydrogen bonds, forming a three-dimensional network.

| S-EPMC2984032 | biostudies-literature

2-Methyl-piperazinediium tetra-chlorido-zincate(II).

Project description:The asymmetric unit of the title compound, (C(5)H(14)N(2))[ZnCl(4)], consists of a diprotonated 2-methyl-piperazine cation and a tetra-chloridozincate anion. The Zn(II) ion is in a slightly distorted tetra-hedral coordination environment. The six-membered piperazine ring adopts a chair conformation. The crystal structure is stabilized by inter-molecular N-H?Cl hydrogen bonds.

| S-EPMC2979142 | biostudies-other

Piperazinediium tetra-chloridozincate(II).

Project description:In the title compound, (C(4)H(12)N(2))[ZnCl(4)], the Zn atom adopts a slightly distorted tetra-hedral geometry. In the crystal, the dication and dianion inter-act by way of N-H?Cl and N-H?(Cl,Cl) hydrogen bonds to result in a layered network propagating in (010). The hydrogen-bonding network is unbalanced, with three Cl atoms accepting two hydrogen bonds each and one Cl atom not accepting any hydrogen bonds: the latter shows the shortest Zn-Cl bond length. The crystal studied was found to be an inversion twin.

| S-EPMC2977610 | biostudies-literature

Piperazinediium tetra-chloridocadmate monohydrate.

Project description:In the title compound, (C(4)H(12)N(2))[CdCl(4)]·H(2)O, the [CdCl(4)](2-) anions adopt a slightly distorted tetra-hedral configuration. In the crystal, O-H⋯Cl hydrogen bonds link the anions and water mol-ecules into corrugated inorganic chains along the b axis which are inter-connected via piperazinediiumN-H⋯O and N-H⋯Cl inter-actions into a three-dimensional framework structure.

| S-EPMC3051944 | 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

Tetra-imidazolium piperazinediium bis-(benzene-1,3,5-tricarboxyl-ate) dihydrate.

Project description:During the crystallization of the title compound, 4C(3)H(5)N(2) (+)·C(4)H(12)N(2) (+)·2C(9)H(3)O(6) (3-)·2H(2)O, the acidic protons were transferred to the imidazole and piperazine N atoms, forming the final 4:1:2:2 hydrated mixed salt. The mean planes of the three carboxyl-ate groups in the anion are twisted with respect to the the central benzene ring, making dihedral angles of 13.5?(1), 14.5?(1) and 16.9?(1)°. In the crystal, the component ions are linked into a three-dimensional network by a combination of inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds. Further stabilization is provided by ?-? stacking inter-actions with centroid-centroid distances of 3.393?(2)?Å and weak C=O?? inter-actions [O-centroid = 3.363?(2)?Å].

| S-EPMC3009064 | biostudies-literature

Bis(piperazinediium) benzene-1,2,4,5-tetra-carboxyl-ate hexa-hydrate.

Project description:The title compound, 2C(4)H(12)N(2) (2+)·C(10)H(2)O(8) (4-)·6H(2)O or (pipzH(2))(2)(btc)·6H(2)O, was formed from the reaction between benzene-1,2,4,5-tetra-carboxylic acid (btcH(4)) as a proton donor and piperazine (pipz) as a proton acceptor. A variety of O-H?O, N-H?O and C-H?O hydrogen bonds, as well as C-H?? inter-actions, are present in the crystal structure. Two water O atoms are each disordered over two positions; for both the site occupany factors are ca 0.66 and 0.34.

| S-EPMC2960987 | biostudies-literature

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

Project description: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.

| S-EPMC2915199 | biostudies-other

Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-(perchlorate) monohydrate and (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) dibromide trihydrate.

Project description:The crystal structure of the Ni-14 macrocycle salt, (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-(perchlorate) hemihydrate, [Ni(C16H36N4)]2(ClO4)4·H2O, contains two different diasteriomeric macrocyclic cations in the asymmetric unit, one with two NH protons on each side of the cation (Ia), and the other with all four NH protons on the same side (Ib). The crystal structure of the bromide trihydrate salt of the same Ni-14 macrocyclic cation, namely (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) dibromide trihydrate, [Ni(C16H36N4)]Br2·3H2O (II), contains only the same diastereomer as Ib, with the four N-H bonds on the same side. The geometry around the Ni atom differs slightly between the two diastereomeric cations, as the mean Ni-N distance in Ia is 1.952?(2)?Å, while that for Ib and II is 1.928?(2)?Å. The hexa-methyl substitution in all three macrocyclic cations has the two dimethyl-substituted C atoms cis to one another, different from the trans 5,5,7,12,12,14-hexa-methyl Ni-14 cations found in all but one of the many published crystal structures of hexa-methyl Ni-14 macrocycles. In each of the two crystal structures, the anions, water mol-ecules, and N-H protons of the macrocyclic cations form extensive hydrogen-bonded zigzag chains propagating along [001] in I and [010] in II.

| S-EPMC6399696 | biostudies-literature

3,3'-Dimethyl-1,1'-methyl-ene-diimidazolium dibromide.

Project description:In the crystal structure of the title compound, C(9)H(14)N(4) (2+)·2Br(-), the cation and anions have crystallographic mirror symmetry, with the mirror plane running through the central CH(2) group for the cation. The latter are stacked along the a axis, forming channels hosting the bromide anions. The crystal packing is stabilized by C-H?Br hydrogen-bonding inter-actions, generating a two-dimensional network.

| S-EPMC2977116 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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