Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Methyl-piperazine-1,4-dium bis-(hydrogen oxalate).

ABSTRACT: In the crystal structure of the title compound, C5H14N2 (2+)·2HC2O4 (-), the two crystallographically independent hydrogen oxalate anions are linked by strong inter-molecular O-H?O hydrogen bonds, forming two independent corrugated chains parallel to the b axis. These chains are further connected by N-H?O and C-H?O hydrogen bonds originating from the organic cations, forming a three-dimensional network. The diprotonated piperazine ring adopts a chair conformation, with the methyl group occupying an equatorial position.

SUBMITTER: Essid M

PROVIDER: S-EPMC3998474 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Methyl-piperazine-1,4-dium bis-(hydrogen oxalate).

Essid Manel M Marouani Houda H Rzaigui Mohamed M

Acta crystallographica. Section E, Structure reports online 20140222 Pt 3

In the crystal structure of the title compound, C5H14N2 (2+)·2HC2O4 (-), the two crystallographically independent hydrogen oxalate anions are linked by strong inter-molecular O-H⋯O hydrogen bonds, forming two independent corrugated chains parallel to the b axis. These chains are further connected by N-H⋯O and C-H⋯O hydrogen bonds originating from the organic cations, forming a three-dimensional network. The diprotonated piperazine ring adopts a chair conformation, with the methyl group occupying ...[more]

PMID: 24765024

Similar Datasets

Crystal structure of 2-methyl-piperazine-1,4-diium bis-(hydrogen maleate).

Project description:In the title salt, C5H14N2 (2+)·2C4H3O4 (-), the asymmetric unit contains two independent 2-methyl-piperazinium dications, which comprise a racemic pair, and four hydrogen maleate monoanions. In the roughly planar hydrogen maleate anions, intra-molecular O-H⋯O hydrogen bonds generate S(7) rings. In the crystal, the four independent anions are linked to the 2-methyl-piperazinium cations through N-H⋯O hydrogen bonds, forming two-dimensional layered structures lying parallel to (001).

| S-EPMC4350694 | biostudies-literature

1-Phenyl-piperazine-1,4-diium bis-(hydrogen sulfate).

Project description:In the title compound, C(10)H(16)N(2) (2+)·2HSO(4) (-), the S atoms adopt slightly distorted tetra-hedral geometry and the diprotonated piperazine ring adopts a chair conformation. In the crystal, the 1-phenyl-piperazine-1,4-diium cations are anchored between chains formed by the sulfate entities via inter-molecular bifurcated N-H?(O,O) and weak C-H?O hydrogen bonds. These hydrogen bonds contribute to the cohesion and stability of the network of the crystal structure.

| S-EPMC2983403 | biostudies-literature

1,4-Diferrocenyl-2-methyl-piperazine-1,4-diium bis-(trifluoro-acetate).

Project description:In the title compound, [Fe(2)(C(5)H(5))(2)(C(17)H(24)N(2))](CF(3)COO)(2), the cation possesses a crystallographically imposed inversion centre. The methyl group is disordered over two positions of equal occupancy. The Fe-C bond lengths to the two cyclo-penta-diene rings vary from 2.025?(6) to 2.044?(6)?Å. Inter-molecular N-H?O and C-H?O hydrogen bonds link the cations and anions into a three-dimensional network.

| S-EPMC2977395 | biostudies-literature

Bis(1-methyl-piperazine-1,4-diium) tetra-chloridocuprate(II).

Project description:The title compound, (C(5)H(14)N(2))[CuCl(4)], was synthesized by hydro-thermal reaction of CuCl(2) with 1-methyl-piperazine in an HCl/water solution. Both amine N atoms are protonated. The piperazine ring adopts a chair conformation. The Cu-Cl distances in the tetrahedral anion are in the range 2.2360?(7)-2.2732?(7)?Å. In the crystal, moderately strong and weak inter-molecular N-H?Cl hydrogen bonds link the anion and cation units into an infinite two-dimensional network parallel to the ab plane.

| S-EPMC3152076 | biostudies-literature

1,4-Bis(3-methyl-phen-yl)piperazine-2,5-dione.

Project description:The asymmetric unit of the title compound, C(18)H(18)N(2)O(2), consists of two independent mol-ecules, each of which is located about a center of inversion. The mol-ecules are not planar, showing dihedral angles of 55.84 (9) and 54.10 (8)° between the piperazinedione and the aromatic rings. The piperazine N atoms exhibit a planar configuration. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3393927 | biostudies-literature

Piperazine-1,4-diium bis-(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox-ylate) monohydrate.

Project description:The title compound, C(4)H(12)N(2) (2+)·2C(8)H(9)N(2)O(4) (-)·H(2)O, is a hydrated proton-transfer compound obtained from 2-propyl-1H-imidazole-4,5-dicarb-oxy-lic acid and piperazine. The asymmetric unit contains one half-cation, one anion and half a water mol-ecule. There is a centre of inversion at the centre of the cation ring and the water molecule O atom lies on a twofold rotation axis. In the crystal, inter-molecular N-H?O and N-H?N hydrogen bonds help to construct a three-dimensional framework. Almost symmetrical, intramolecular O-H?O inter-actions are also observed.

| S-EPMC3050275 | biostudies-literature

Bis(1-methyl-piperazine-1,4-diium) tetra-bromidocuprate(II).

Project description:The title compound, (C(5)H(14)N(2))[CuBr(4)], was synthesized by hydro-thermal reaction of CuBr(2) with 1-methyl-piperazine in an HBr/water solution. Both amine N atoms are protonated. The Cu-Br distances in the tetrahedral anion are in the range 2.3809?(11)-2.4131?(11)?Å. In the crystal, moderately strong and weak inter-molecular N-H?Br hydrogen bonds link the anion and cation units into an infinite two-dimensional network parallel to the ab plane.

| S-EPMC3151897 | biostudies-other

Bis[1-(2,3-di-methyl-phen-yl)piperazine-1,4-diium] bis-(oxonium) cyclo-hexa-phosphate dihydrate.

Project description:In the title compound, 2C12H20N2 (2+)·2H3O(+)·P6O18 (6-)·2H2O, a protonated water mol-ecule bridges the centrosymmetrical anionic P6O18 ring via O-H⋯O hydrogen bonds. The centrosymmetric hydrogen-bonded rings formed by four oxonium cations and four phosphate anions can be described by an R 4 (8)(36) graph-set motif. The ring motifs are connected by hydrogen bonds into inorganic layers perpendicular to [100]. The 1-(2,3-di-methyl-phen-yl)piperazine-1,4-diium cations are located between the layers, compensating their negative charge and establishing N-H⋯O hydrogen bonds with the O atoms of the anionic framework.

| S-EPMC3770409 | biostudies-literature

Piperazine-1,4-diium bis-(perchlorate) dihydrate.

Project description:The asymmetric unit of the title compound, C(4)H(12)N(2) (2+)·2ClO(4) (-)·2H(2)O, contains half of a piperazinediium cation, one perchlorate anion and one water mol-ecule. The diprotonated piperazine ring, which is completed by crystallographic inversion symmetry, adopts a chair conformation. In the crystal structure, the cations and anions are linked by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC3007905 | biostudies-literature

1-Methyl-piperazine-1,4-diium dipicrate.

Project description:IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: 1-methyl-piperazine-1,4-diium bis-(2,4,6-trinitro-phen-ol-ate)], C(5)H(14)N(2) (2+)·2C(6)H(2)N(3)O(7) (-), the ionic components are connected by relatively strong N-H⋯O hydrogen bonds into centrosymmetric six-membered conglomerates, which comprise two dications and four anions. Besides Coulombic inter-actions, only weak C-H⋯O inter-actions and some stacking between picrates (separation between the planes of ca. 3.4 Å but only a small overlapping) can be identified between these 'building blocks' of the crystal structure. The piperazine ring adopts a chair conformation with the methyl substituent in the equatorial position. In the picrate anions, the twist angles of the nitro groups depend on their positions relative to the phenolate O atom: it is much smaller for the NO(2) groups para to the C-O(-) group [15.23 (9)and 3.92 (14)°] than for the groups in the ortho positions [28.76 (13)-39.84 (11)°].

| S-EPMC3051773 | 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