Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Adeninium cytosinium sulfate.

ABSTRACT: In the title compound, C(5)H(6)N(5) (+)·C(4)H(6)N(3)O(+)·SO(4) (2-), the adeninium (AdH(+)) and cytosinium (CytH(+)) cations and sulfate dianion are involved in a three-dimensional hydrogen-bonding network with four different modes, viz. AdH(+)⋯AdH(+), AdH(+)⋯CytH(+), AdH(+)⋯SO(4) (2-) and CytH(+)⋯SO(4) (2-). The adeninium cations form N-H⋯N dimers through the Hoogsteen faces, generating a characteristic R(2) (2)(10) motif. This AdH(+)⋯AdH(+) hydrogen bond in combination with AdH(+)⋯CytH(+ )H-bonds leads to two-dimensional cationic ribbons parallel to the a axis. The sulfate anions inter-link the ribbons into a three-dimensional hydrogen-bonding network and thus reinforce the crystal structure.

SUBMITTER: Cherouana A

PROVIDER: S-EPMC2969916 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Adeninium cytosinium sulfate.

Cherouana Aouatef A Bousboua Raja R Bendjeddou Lamia L Dahaoui Slimane S Lecomte Claude C

Acta crystallographica. Section E, Structure reports online 20090829 Pt 9

In the title compound, C(5)H(6)N(5) (+)·C(4)H(6)N(3)O(+)·SO(4) (2-), the adeninium (AdH(+)) and cytosinium (CytH(+)) cations and sulfate dianion are involved in a three-dimensional hydrogen-bonding network with four different modes, viz. AdH(+)⋯AdH(+), AdH(+)⋯CytH(+), AdH(+)⋯SO(4) (2-) and CytH(+)⋯SO(4) (2-). The adeninium cations form N-H⋯N dimers through the Hoogsteen faces, generating a characteristic R(2) (2)(10) motif. This AdH(+)⋯AdH(+) hydrogen bond in combination with AdH(+)⋯CytH(+ )H-bo ...[more]

PMID: 21577678

Similar Datasets

Bis(adeninium) bis-(hydrogensulfate) sulfate.

Project description:The title compound, 2C5H7N5(2+)·2HSO4(-)·SO4(2-), was synthesized from adenine and sulfuric acid. The asymmetric unit contains two diprotonated adeninium cations, two bis-ulfate anions and one sulfate anion. The crystal structure is stabilized by classical N-H⋯O and O-H⋯O hydrogen bonds, and weak C-H⋯O and C-H⋯N hydrogen bonds, generating a three-dimensional network.

| S-EPMC3588817 | biostudies-literature

Adeninium perchlorate.

Project description:IN THE TITLE SALT (SYSTEMATIC NAME: 6-amino-9H-purin-1-ium perchlorate), C(5)H(6)N(5) (+)·ClO(4) (-), the adeninium cation is essentially planar, with a maximum deviation of 0.038 (1) Å. The whole of the perchlorate anion is disordered over two sets of sites with an occupancy ratio of 0.589 (13):0.411 (13). In the crystal, the adeninium cations are linked by pairs of N-H⋯N hydrogen bond into inversion dimers. The dimers and the anions are further inter-connected into a three-dimensional supra-molecular structure via inter-molecular N-H⋯O, C-H⋯O and C-H⋯N hydrogen bonds.

| S-EPMC3051488 | biostudies-literature

Cytosinium hydrogen selenite.

Project description:In the crystal structure of the title salt, C4H6N3O(+)·HSeO3 (-), systematic name 6-amino-2-methyl-idene-2,3-di-hydro-pyrim-idin-1-ium hydrogen selenite, the hydrogenselenite anions and the cytosinium cations are linked via N-H⋯O, N-H⋯Se, O-H⋯O, O-H··Se and C-H⋯O hydrogen bonds, forming a three-dimensional framework.

| S-EPMC3998338 | biostudies-literature

Cytosinium orotate dihydrate.

Project description:The title compound, C4H6N3O(+)·C5H3N2O4(-)·2H2O or Cyt(+)·Or(-)·2H2O, was synthesized by a reaction between cytosine (4-amino-2-hy-droxy-pyrimidine, Cyt) and orotic acid (2,4-dihy-droxy-6-carb-oxy-pyrimidine, Or) in aqueous solution. The two ions are joined by two N(+)-H⋯O(-) (±)-(CAHB) hydrogen bonds, forming a dimer with graph-set motif R2(2)(8). In the crystal, the ion pairs of the asymmetric unit are joined by four N-H⋯O inter-actions to adjacent dimers, forming hydrogen-bonded rings with R2(2)(8) graph-set motif in a two-dimensional network. The formation of the three-dimensional array is facilitated by water mol-ecules, which act as bridges between structural sub-units linked in R3(2)(8) and R3(2)(7) hydrogen-bonded rings. The orotate anion is essentially planar, as the dihedral angle between the planes defined by the carboxylate group and the uracil fragment is 4.0 (4)°.

| S-EPMC3588359 | biostudies-literature

Hydrogen bonding in cytosinium dihydrogen phosphite.

Project description:In the title compound, C(4)H(8)N(3)O(4)P(+)·H(2)PO(3) (-), the cytosine mol-ecule is monoprotonated and the phospho-ric acid is in the monoionized state. Strong hydrogen bonds, dominated by N-H⋯O inter-actions, are responsible for cohesion between the organic and inorganic layers and maintain the stability of this structure.

| S-EPMC2977815 | biostudies-literature

Adeninium 3-carboxy-anilinium bis-(perchlorate) trihydrate.

Project description:In the title salt, C(5)H(6)N(5) (+)·C(7)H(8)NO(2) (+)·2ClO(4) (-)·3H(2)O, the 3-carboxy-anilinium and adeninium cations are monoprotonated at the amino group and at a pyrimidine N atom respectively. In the crystal, the components are involved in extensive three-dimensional hydrogen-bonding networks composed of O-H⋯O, N-H⋯O, O-H⋯N, N-H⋯N and C-H⋯O inter-actions. Bifurcated hydrogen bonds are observed between perchlorate O atoms and adeninium cations.

| S-EPMC2970376 | biostudies-literature

Bis(cytosinium) aqua-penta-chlorido-indate(III).

Project description:The asymmetric unit of the title compound, (C(4)H(6)N(3)O)(2)[InCl(5)(H(2)O)], comprises two independent cytosinium cations and an aquapentachloridoindate anion. The In(III) ion is in a slightly distorted octa-hedral coordination geometry. In the crystal, alternating layers of cations and anions are arranged along [010] and are linked via inter-molecular N-H⋯O, O-H⋯Cl and N-H⋯Cl hydrogen bonds, forming sheets parallel to (001). Additional stabilization within these sheeets is provided by weak inter-molecular C-H⋯O inter-actions.

| S-EPMC3051970 | biostudies-literature

Cytosinium-hydrogen maleate-cytosine (1/1/1).

Project description:The title organic salt, C(4)H(6)N(3)O(+)·C(4)H(3)O(4) (-)·C(4)H(5)N(3)O, was synthesized from cytosine base and maleic acid. An intra-molecular O-H⋯O hydrogen bond occurs in the hydrogen maleate anion. The crystal packing is stabilized by inter-molecular N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds, giving rise to a nearly planar two-dimensional network parallel to (101).

| S-EPMC2972138 | biostudies-literature

Crystal structure and hydrogen-bonding patterns in 5-fluoro-cytosinium picrate.

Project description:In the crystal structure of the title compound, 5-fluoro-cytosinium picrate, C4H5FN3O+·C6H2N3O7-, one N heteroatom of the 5-fluoro-cytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA-) anion. In the crystal, the 5FC+ cation inter-acts with the PA- anion through three-centre N-H⋯O hydrogen bonds, forming two conjoined rings having R21(6) and R12(6) motifs, and is extended by N-H⋯O hydrogen bonds and C-H⋯O inter-actions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C-F⋯π inter-actions.

| S-EPMC5347054 | biostudies-literature

Redetermination of cytosinium hydrogen maleate-cytosine (1/1) from the original data.

Project description:The title salt, C4H6N3O(+)·C4H3O4 (-)·C4H5N3O, has been redetermined from the data published by Benali-Cherif, Falek & Direm [Acta Cryst. (2009), E65, o3058-o3059]. The improvement of the present redetermination consists in the discovery of the splitting of one of the H atoms into two disordered positions, the occupancies of which are equal to 0.55 (2) and 0.45 (2). These H atoms are involved in an N⋯N hydrogen bond and are shifted towards its centre. The disorder of these H atoms is in agreement with a similar environment of the two independent, but chemically equivalent, cytosinium/cytosine mol-ecules.

| S-EPMC4910327 | 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