Browse
Submit Data
Databases
API
Help
Login

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 | 2014-01-01T00:00:00Z

REPOSITORIES: biostudies

ACCESS DATA

Json Xml

Similar Datasets

Bis(1-methyl-piperazine-1,4-diium) di-?-bromido-bis-[tetra-bromido-bismuthate(III)] dihydrate.

Project description:In the title hydrated salt, (C5H14N2)2[Bi2Br10]·2H2O, the com-plete [Bi2Br10](4-) biocta-hedron is generated by crystallographic inversion symmetry. The diprotonated piperazine ring adopts a chair conformation, with the methyl group occupying an equatorial position. In the crystal, the tetra-anions and water mol-ecules are linked by O-H?Br and O-H?(Br,Br) hydrogen bonds to generate [100] chains. The chains are crosslinked by N-H?Br, N-H?O and C-H?Br hydrogen bonds originating from the piperazinediium dications, thereby forming a three-dimensional network.

1000-01-01 | S-EPMC4051086 | BioStudies

trans-2,5-Di-methyl-piperazine-1,4-diium dinitrate.

Project description:In the structure of the title salt, C6H16N2 (2+)·2NO3 (-), the cations are connected to the anions through bifurcated N-H?(O,O) and weak C-H?O hydrogen bonds, generating corrugated layers parallel to the (100) plane. The organic cation is centrosymmetric and the diprotonated piperazine ring adopts a chair conformation, with the methyl groups occupying equatorial positions.

2014-01-01 | S-EPMC4051050 | BioStudies

5-Amino-1H-1,2,4-triazol-4-ium hydrogen oxalate.

Project description:In the title salt, C2H5N4 (+)·C2HO4 (-), the hydrogen oxalate anions form corrugated chains parallel to the c axis, linked by inter-molecular O-H?O hydrogen bonds. The 5-amino-1H-1,2,4-triazol-4-ium cations are connected into centrosymmetric clusters via weak C-H?N hydrogen bonds forming nine-membered rings with an R 3 (3)(9) motif. These clusters are inter-connected via anions through N-H?O hydrogen bonds, building a three-dimensional network.

1000-01-01 | S-EPMC3793774 | BioStudies

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).

1000-01-01 | S-EPMC4350694 | BioStudies

2-Amino-3-nitro-pyridinium hydrogen oxalate.

Project description:In the non-centrosymetric title compound, C(5)H(6)N(3)O(2) (+)·C(2)HO(4) (-), the hydrogen oxalate anions form corrugated chains parallel to the c axis, linked by O-H?O hydrogen bonds. The 2-amino-3-nitro-pyridinium cations are anchored between theses chains by N-H?O and C-H?O hydrogen bonds and van der Waals and electrostatic inter-actions, creating a three-dimensional network.

1000-01-01 | S-EPMC2968971 | BioStudies

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.

1000-01-01 | S-EPMC2983403 | BioStudies

1-(2,5-Dimethyl-phen-yl)piperazine-1,4-diium tetra-chloridozincate monohydrate.

Project description:In the title compound, (C(12)H(20)N(2))[ZnCl(4)]·H(2)O, the two piperazine N atoms are protonated and the [ZnCl(4)](2-) anions adopt a slightly distorted tetra-hedral configuration. In the crystal, O-H?Cl hydrogen bonds link the tetra-chloridozincate anions and the water mol-ecules into corrugated inorganic chains parallel to [010]. The crystal structure is stabilized by N-H?Cl, N-H?O and O-H?Cl hydrogen bonds, with the N-H hydrogen bond originating from one of the two N atoms being trifurcated.

1000-01-01 | S-EPMC3099933 | BioStudies

4-Amino-3-(4-hy-droxy-benz-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C9H10N4OS, the dihedral angle between the benzene and 1H-1,2,4-triazole-5(4H)-thione rings is 67.51?(16)°. In the crystal, mol-ecules are liked via N-H?O hydrogen bonds, forming chains along the c-axis direction. The chains are linked via O-H?S hydrogen bonds, forming corrugated layers lying parallel to the bc plane. The layers are linked via N-H?N and N-H?S hydrogen bonds, forming a three-dimensional network.

1000-01-01 | S-EPMC3914088 | BioStudies

N'-[(E)-2-Chloro-benzyl-idene]-2-(6-meth-oxy-naphthalen-2-yl)propano-hydrazide.

Project description:In the title compound, C21H19ClN2O2, the benzene ring and the naphthalene ring system are oriented at a dihedral angle of 65.24?(10)°. In the crystal, N-H?O, C-H?N and C-H?O hydrogen bonds link the mol-ecules, forming chains along the b-axis direction. Further C-H?O hydrogen bonds link the chains, forming corrugated sheets lying parallel to (10-1).

1000-01-01 | S-EPMC4051055 | BioStudies

2-Bromo-3-hy-droxy-6-methyl-pyridine.

Project description:In the title compound, C6H6BrNO, the Br atom is displaced from the pyridine ring mean plane by 0.0948?(3)?Å, while the hydroxyl O atom and the methyl C atom are displaced by 0.0173?(19) and 0.015?(3)?Å, respectively. In the crystal, mol-ecules are linked via O-H?N hydrogen bonds, forming chains propagating along the a-axis direction. These chains are linked by C-H?Br hydrogen bonds, forming corrugated two-dimensional networks lying parallel to the ac plane.

1000-01-01 | S-EPMC3885016 | BioStudies

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