Browse
Submit Data
Databases
API
Help
Login

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Carboxy-pyrazino[2,3-f][1,10]phenanthrolin-9-ium-2-carboxyl-ate.

ABSTRACT: In the title zwitterionic compound, C(16)H(8)N(4)O(4), the dihedral angle between the carboxyl and carboxyl-ate groups is 72.14?(2)°. In the crystal, mol-ecules are linked by strong inter-molecular O-H?O(-) and N(+)-H?O(-) hydrogen bonds into double chains extended along [001]. These chains are additionally stabilized by ?-? stacking inter-actions between the pyridine and benzene rings [centroid-centroid distance = 3.5542?(8)?Å].

SUBMITTER: Zhang XN

PROVIDER: S-EPMC2983978 | BioStudies | 2010-01-01T00:00:00Z

REPOSITORIES: biostudies

ACCESS DATA

Json Xml

Similar Datasets

Bis(1,10-phenanthrolin-1-ium) tetra-chlorido-zincate monohydrate.

Project description:In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water mol-ecule and the tetrahedral tetrachloridozincate anion via N-H?O, O-H?Cl and N-H?Cl hydrogen bonds, forming chains along [100]. The chains are linked via C-H?Cl hydrogen bonds and a number of ?-? inter-actions [centroid-centroid distances vary from 3.5594?(14) to 3.7057?(13)?Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N-H?N inter-action.

2014-01-01 | S-EPMC3998259 | BioStudies

1,10-Phenanthrolin-1-ium 2-carb-oxy-4,5-dichloro-benzoate.

Project description:In the structure of the 1:1 proton-transfer compound of 1,10-phenanthroline with 4,5-dichloro-phthalic acid, C(12)H(9)N(2) (+)·C(8)H(3)Cl(2)O(4) (-), determined at 130?K, the 1,10-phenanthrolinium cation and the hydrogen 4,5-dichloro-phthalate anion associate through a single N-H?O(carbox-yl) hydrogen bond giving discrete units which have no extension except through a number of weak cation C-H?O(anion) associations and weak cation-anion aromatic ring ?-? inter-actions [minimum centroid-centroid separation = 3.6815?(12)?Å]. The anions are essentially planar "[maximum deviation 0.214?(1)?Å (a carboxyl O)] with the syn-related H atom of the carboxyl group, forming a short intra-molecular O-H?O(carbox-yl) hydrogen bond.

2009-01-01 | S-EPMC2970357 | BioStudies

1,10-Phenanthrolin-1-ium hydrogen d,l-tartrate dihydrate.

Project description:In the title hydrated molecular salt, C(12)H(9)N(2) (+)·C(4)H(5)O(6) (-)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.014?Å); the carbon skeleton of the anion assumes a trans conformation [C-C-C-C torsion angle = -179.86?(14)°]. The carboxyl end of one hydrogen tartrate anion forms a short hydrogen bond to the carboxyl-ate end of another anion [O?O = 2.508?(2)?Å] in a head-to-tail manner, forming a chain; the chains and water mol-ecules inter-act, generating an O-H?O hydrogen-bonded layer. The cation binds to the layer by an N-H?O hydrogen bond.

2011-01-01 | S-EPMC3120439 | BioStudies

5,6-Dihydr-oxy-1,10-phenanthrolin-1-ium chloride dihydrate.

Project description:The title compound, C(12)H(9)N(2)O(2) (+)·Cl(-)·2H(2)O, exhibits a layered structure which is stabilized by inter-molecular O-H?O, O-H?Cl(-) and N(+)-H?Cl(-) hydrogen bonds, and ?-? inter-actions (centroid-centroid distances = 3.654 and 3.583?Å). The distances between the molecules are 3.371 and 3.294?Å.

2009-01-01 | S-EPMC2970196 | BioStudies

Bis(1,10-phenanthrolin-1-ium) hexa-bromidoplatinate(IV) dihydrate.

Project description:The asymmetric unit of the title compound, (C(12)H(9)N(2))(2)[PtBr(6)]·2H(2)O, contains a protonated 1,10-phenanthroline cation (H-phen), one half of a [PtBr(6)](2-) anionic complex and a solvent water mol-ecule. The Pt(IV) ion is located on an inversion centre and is coordinated in an octa-hedral environment by six Br atoms. The crystal structure displays numerous inter-molecular ?-? inter-actions between six-membered rings of H-phen, with a shortest centroid-centroid distance of 3.670?(5)?Å, and inter-molecular N-H?O, O-H?Br and O-H?N hydrogen bonds.

1000-01-01 | S-EPMC2979881 | BioStudies

2,2'-(1,10-Phenanthrolin-2-ylimino)di-ethanol.

Project description:In the title compound, C(16)H(17)N(3)O(2), symmetry-related mol-ecules are linked into one-dimensional chains along the a axis by a combination of inter-molecular O-H?N and O-H?O hydrogen bonds and weak ?-? stacking inter-actions with a centroid-centroid distance of 3.5494?(12)?Å.

1000-01-01 | S-EPMC2968642 | BioStudies

1H-Imidazo[4,5-f][1,10]phenanthrolin-7-ium perchlorate monohydrate.

Project description:In the title crystal structure, C(13)H(9)N(4) (+)·ClO(4) (-)·H(2)O, cations, anions and water mol-ecules are linked through inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds, forming layers parallel to (001). In addition, there are weak ?-? stacking inter-actions between the layers, involving the cations and with centroid-centroid distances in the range 3.584?(2)-3.662?(2)?Å, forming a three-dimensional network.

2009-01-01 | S-EPMC2970354 | BioStudies

Crystal structure of 8-hy-droxy-quinolin-ium 2-carboxy-6-nitro-benzoate mono-hydrate.

Project description:In the title hydrated salt, C9H8NO(+)·C8H4NO6 (-)·H2O, the deprotonated carboxyl-ate group is almost normal to its attached benzene ring [dihedral angle = 83.56?(8)°], whereas the protonated carboxyl-ate group is close to parallel [dihedral angle = 24.56?(9)°]. In the crystal, the components are linked by N-H?O and O-H?O hydrogen bonds, generating [001] chains. The packing is consolidated by C-H?O and ?-? [centroid-to-centroid distances = 3.6408?(9) and 3.6507?(9)?Å] inter-actions, which result in a three-dimensional network.

1000-01-01 | S-EPMC4438817 | BioStudies

6-[(4-Hy-droxy-phen-yl)diazenyl]-1,10-phenanthrolin-1-ium chloride monohydrate.

Project description:In the cation of the title mol-ecular salt, C(18)H(13)N(4)O(+)·Cl(-)·H(2)O, the dihedral angle between the mean planes of the 1,10-phenanthroline system and the phenol ring is 14.40?(19)°. The crystal packing is stabilized by O-H?O hydrogen bonds, weak N-H?Cl and O-H?Cl inter-molecular inter-actions and ?-? stacking inter-actions [centroid-centroid distance = 3.6944?(13) and 3.9702?(12)?Å].

1000-01-01 | S-EPMC3238824 | BioStudies

9-(2-Pyridylmeth-oxy)-1,10-phenanthrolin-1-ium perchlorate methanol solvate.

Project description:In the title organic salt, C(18)H(14)N(3)O(+)·ClO(4) (-)·CH(4)O, there is a ?-? stacking inter-action between neighbouring 1,10-phenanthroline rings and the relevant distances are 3.5453?(18)?Å for the centroid-centroid distance and 3.354?Å for the perpendicular distance. There is also a relatively close contact between a C-H bond and a symmetry-related pyridine ring. There are classical N-H?O and O-H?N hydrogen bonds and non-classical C-H?O hydrogen bonds involving the cation, methanol solvent mol-ecule and perchlorate anion.

2008-01-01 | S-EPMC2962027 | 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