Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Phenazin-5-ium hydrogen sulfate monohydrate.

ABSTRACT: The crystal structure of the title salt, C12H9N2 (+)·HSO4 (-)·H2O, comprises inversion-related pairs of phenazinium ions linked by C-H?N hydrogen bonds. The phenazinium N-H atoms are hydrogen bonded to the bis-ulfate anions. The bis-ulfate anions and water mol-ecules are linked by O-H?O hydrogen-bonding inter-actions into a structural ladder motif parallel to the a axis.

SUBMITTER: Degeorge J

PROVIDER: S-EPMC3629511 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Phenazin-5-ium hydrogen sulfate monohydrate.

Degeorge Joseph J Landee Christopher P CP Turnbull Mark M MM

Acta crystallographica. Section E, Structure reports online 20130302 Pt 4

The crystal structure of the title salt, C12H9N2 (+)·HSO4 (-)·H2O, comprises inversion-related pairs of phenazinium ions linked by C-H⋯N hydrogen bonds. The phenazinium N-H atoms are hydrogen bonded to the bis-ulfate anions. The bis-ulfate anions and water mol-ecules are linked by O-H⋯O hydrogen-bonding inter-actions into a structural ladder motif parallel to the a axis. ...[more]

PMID: 23634029

Similar Datasets

8-Hy-droxy-quinolin-1-ium hydrogen sulfate monohydrate.

Project description:In the crystal structure of the title salt hydrate, C9H8NO(+)·HSO4 (-)·H2O, the quinoline N-H atoms are hydrogen bonded to the bis-ulfate anions. The bis-ulfate anions and water mol-ecules are linked together by O-H?O hydrogen-bonding inter-actions. The cations and anions form separate layers alternating along the c axis, which are linked by N-H?O and O-H?O hydrogen bonds into a two-dimensional network parallel to (100). Further O-H?O contacts connect these layers, forming a three-dimensional network, in which two R 4 (4)(12) rings and C 2 (2)(13) infinite chains can be identified.

| S-EPMC3884397 | biostudies-literature

Morpholin-4-ium hydrogen l-tartrate monohydrate.

Project description:In the title compound, C(4)H(10)NO(+)·C(4)H(5)O(6) (-)·H(2)O, the morpholine ring adopts a chair conformation. In the crystal, the tartrate anions are linked via O-H⋯O hydrogen bonds, forming chains propagating along [101]. These chains are linked via N-H⋯O and O-H⋯O hydrogen bonds, involving the morpholinium cation and the water molecule, forming a three-dimensional network.

| S-EPMC3274992 | biostudies-literature

Tris(4-hydroxy-pyridinium) hydrogen sulfate-sulfate monohydrate.

Project description:In the crystal structure of the title salt, 3C(5)H(6)NO(+)·HSO(4) (-)·SO(4) (2-)·H(2)O, the hydrogen sulfate ion is linked to the sulfate ion by an O-H?O hydrogen bond. The hydrogen sulfate-sulfate anion is a hydrogen-bond acceptor for the three independent cations and the uncoordinated water mol-ecule, the hydrogen-bonding inter-actions giving rise to a three-dimensional hydrogen-bonded network. In the hydrogen sulfate-sulfate species, one of the sulfate groups is disordered in respect of its O atoms in a 2:1 ratio.

| S-EPMC2972122 | biostudies-literature

2-Cyano-quinolin-1-ium hydrogen sulfate.

Project description:The title salt, C(10)H(7)N(2) (+)·HSO(4) (-), is formed by the transfer of a proton from H(2)SO(4) to the N atom of 2-cyano-quinoline during crystallization. The quinoline ring system is approximately planar with a maximum deviation of 0.013?(3)?Å. In the crystal, the cations are linked to the anions via inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds, forming a layered network.

| S-EPMC3009120 | biostudies-literature

2-Trifluoro-methyl-1H-benzimidazol-3-ium hydrogen sulfate.

Project description:In the crystal of the title mol-ecular salt, C(8)H(6)F(3)N(2) (+)·HSO(4) (-), cation-to-anion N-H⋯O hydrogen bonds generate [100] chains. Anion-to-anion O-H⋯O hydrogen bonds generate [001] helices and cross-link the chains into a three-dimensional network.

| S-EPMC3239099 | biostudies-literature

Tris(2-amino-1,3-thia-zolium) hydrogen sulfate sulfate monohydrate.

Project description:The centrosymmetric crystal structure of the novel semi-organic compound, 3C(3)H(5)N(2)S(+)·HSO(4) (-)·SO(4) (2-)·H(2)O, is based on chains of alternating anions and water mol-ecules (formed by O-H?O hydrogen bonds). The chains are inter-connected with the 2-amino-1,3-thia-zolium cations via strong N-H?O and weak C-H?O hydrogen-bonding inter-actions into a three-dimensional network.

| S-EPMC3238880 | biostudies-other

2-Amino-6-nitro-1,3-benzothia-zol-3-ium hydrogen sulfate.

Project description:In the title molecular salt, C(7)H(6)N(3)O(2)S(+)·HSO(4) (-), the 2-amino-6-nitro-1,3-benzothia-zole ring system is essentially planar [mean deviation = 0.0605?(4)?Å]. In the crystal, N-H?O and O-H?O hydrogen-bonding inter-actions result in a layer motif.

| S-EPMC3213492 | biostudies-literature

8-Hy-droxy-5,7-dimethyl-quinolin-1-ium hydrogen sulfate.

Project description:The quinoline ring system of the title salt, C11H12NO(+)·HSO4(-), is essentially planar, with a maximum deviation of 0.054?(2)?Å for all non H atoms. In the crystal, the cations and anions are linked via N-H?O, O-H?O and weak C-H?O hydrogen bonds, and are stacked respectively in columns along the a axis. ?-? stacking inter-actions, with centroid-centroid distances of 3.5473?(12) and 3.6926?(12)?Å, are also observed. The crystal studied was an inversion twin with refined components of 0.43?(7):0.57?(7).

| S-EPMC3588270 | biostudies-other

Bis(2-amino-4-methyl-6-oxo-3,6-di-hydro-pyrimidin-1-ium) sulfate monohydrate.

Project description:In the title hydrated mol-ecular salt, 2C5H8N3O(+)·SO4 (2-)·H2O, the components are linked by N-H?Os and Ow-H?Os (s = sulphate, w = water) hydrogen bonds, generating a layer by a+b+c and 2a-b translations. The cations are arranged nearly in parallel and show displaced ?-? stacking centroid-centroid distance = 4.661?(2)?Å between adjacent layers.

| S-EPMC4120550 | biostudies-literature

1:1 Co-crystal of 4,4'-(ethene-1,2-di-yl)dipyridin-1-ium sulfate and hexa-aqua-iron(II) sulfate monohydrate.

Project description:In the title hydrated double salt, 4,4'-(ethene-1,2-di-yl)dipyridin-1-ium hexa-aqua-iron(II) bis-(sulfate) monohydrate, (C12H12N2)[Fe(H2O)6](SO4)2·H2O, the Fe(II) cation is coordin-ated by six water mol-ecules in a slightly distorted octa-hedral geometry; the two pyridine rings of the 4,4'-(ethene-1,2-di-yl)dipyridin-1-ium cation are twisted to each other by a dihedral angle of 11.84?(10)°. In the crystal, the cations, sulfate anions and water mol-ecules of crystallization are linked by O-H?O, N-H?O and weak C-H?O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC4011237 | 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