Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6-Nitro-benzimidazolium dihydrogen phosphate 6-nitro-benzimidazole solvate dihydrate.

ABSTRACT: In the crystal structure of the title compound, C(7)H(6)N(3)O(2) (+)·H(2)PO(4) (-)·C(7)H(5)N(3)O(2)·2H(2)O, the components are connected through O-H?O, N-H?O and O-H?N hydrogen-bonding inter-actions, forming a sheet-like structure parallel to (101). Adjacent sheets are further linked together by strong O-H?O hydrogen-bonds involving the dihydrogenphosphate groups. ?-? stacking inter-actions between neighbouring aromatic constituents [centroid-centroid distance 3.653?(3)?Å] help to consolidate the crystal packing.

SUBMITTER: Shao ZD

PROVIDER: S-EPMC3006800 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

6-Nitro-benzimidazolium dihydrogen phosphate 6-nitro-benzimidazole solvate dihydrate.

Shao Zhi-Dong ZD Jiang Xiao X Lan Shao-Min SM Di Wen-Jing WJ Liang Yun-Xiao YX

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

In the crystal structure of the title compound, C(7)H(6)N(3)O(2) (+)·H(2)PO(4) (-)·C(7)H(5)N(3)O(2)·2H(2)O, the components are connected through O-H⋯O, N-H⋯O and O-H⋯N hydrogen-bonding inter-actions, forming a sheet-like structure parallel to (101). Adjacent sheets are further linked together by strong O-H⋯O hydrogen-bonds involving the dihydrogenphosphate groups. π-π stacking inter-actions between neighbouring aromatic constituents [centroid-centroid distance 3.653 (3) Å] help to consolidate th ...[more]

PMID: 21587973

Similar Datasets

Tetra-kis(3,5-xylidinium) dihydrogen cyclo-hexa-phosphate dihydrate.

Project description:In the title compound, 4C(8)H(12)N(+)·H(2)P(6)O(18) (4-)·2H(2)O, the complete cyclo-hexa-phosphate anion is generated by inversion symmetry. Crystal cohesion and stability are supported by electrostatic inter-actions which, together with N-H?O and O-H?O hydrogen bonds, build up a three-dimensional network.

| S-EPMC2980186 | biostudies-literature

Dicaesium magnesium bis-(dihydrogen phosphate(V)) dihydrate.

Project description:The title compound, Cs(2)Mg(H(2)P(2)O(7))(2)·2H(2)O, is isostructural with the related known isoformular phosphates. The crystal framework consists of corner-sharing MgO(6) and H(2)P(2)O(7) polyhedra, leading to tunnels parallel to the b-axis direction in which Cs(+) ions are located. The H(2)P(2)O(7) unit shows a bent eclipsed conformation. The Mg(2+) ion lies on an inversion center. The water molecules form hydrogen bonds to O atoms of two different dihydrogenphosphate ions, which are further hydrogen bonded to symmetry-equivalent dihydrogenphosphate ions.

| S-EPMC2967844 | biostudies-other

Carvedilol dihydrogen phosphate propan-2-ol solvate from powder diffraction data.

Project description:In the cation of the title compound, C(24)H(27)N(2)O(4) (+)·H(2)PO(4) (-)·C(3)H(8)O [systematic name: 3-(9H-carbazol-4-yl-oxy)-2-hydr-oxy-N-[2-(2-methoxy-phen-oxy)eth-yl]propan-1-aminium dihydro-gen phosphate propan-2-ol solvate], the mean planes of the tricyclic carbazole system and the benzene ring form a dihedral angle of 42.00 (16)°. In the crystal structure, classical inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the cations, anions and solvent mol-ecules into layers parallel to the ac plane.

| S-EPMC2983528 | biostudies-literature

1,4-Bis(carb-oxy-meth-yl)piperazine-1,4-diium bis-(dihydrogen phosphate) dihydrate.

Project description:In the title salt, C(8)H(16)N(2)O(4) (2+)·2H(2)PO(4) (-)·2H(2)O, the piperazine ring is located around an inversion center and adopts a chair conformation. The dihydrogen phosphate anions and free water mol-ecules are linked via O-H⋯O hydrogen bonds into two-dimensional hydrogen-bonding layers, which are further connected through O-H⋯O and N-H⋯O hydrogen bonds involving the protonated piperazine into a three-dimensional supra-molecular network.

| S-EPMC2983230 | biostudies-literature

3-(Benzimidazolium-2-yl)propionate dihydrate.

Project description:In the crystal struture of the title compound, C(10)H(10)N(2)O(2)·2H(2)O, the component species are linked to the water mol-ecules by N-H⋯O and O-H⋯O hydrogen bonds to form a three-dimensional network structure.

| S-EPMC2959715 | biostudies-literature

1,3-Diallyl-2-methyl-benzimidazolium bromide dihydrate.

Project description:The bonds in the five-membered ring of the title hydrated salt, C(14)H(17)N(2) (+)·Br(-)·2H(2)O, are delocalized. The cation lies on a special position of m site symmetry such that the mirror plane passes through the imidazol-yl-methyl bond and is perpendicular to the plane of the cation. The anion lies on another special position of 2 site symmetry. The anion and uncoordinated water mol-ecule are linked into a chain by O-H?O hydrogen bonds. One of the water O atoms is disordered over two sites of equal occupancy.

| S-EPMC2970382 | biostudies-literature

Choline dihydrogen phosphate.

Project description:In the cystal structure of the title compound, (2-hy-droxy-ethyl)trimethylammonium dihydrogen phosphate, C(5)H(14)NO(+)·H(2)PO(4) (-), two anions create dimeric structures via two O-H⋯O hydrogen bonds. The hydrogen-bonded dimers are connected by another O-H⋯O hydrogen bond with the hydroxyl groups of the cations, constructing a columner structure along the a axis. A number of C-H⋯O interactions are also present.

| S-EPMC2969078 | biostudies-literature

Dichloridobis[5-nitro-1-trimethyl-silyl-methyl-1H-benzimidazole-κN]cobalt(II) N,N-dimethyl-formamide solvate.

Project description:The title compound, [CoCl(2)(C(11)H(15)N(3)O(2)Si)(2)]·C(3)H(7)NO, was synthesized from 5-nitro-1-trimethyl-silylmethyl-1H-benzimid-azole and cobalt(II) chloride in dimethyl-formamide. The Co(II) atom is coordinated in a distorted tetra-hedral environment by two Cl atoms and two N atoms. In the crystal structure, there are a number of C-H⋯Cl and C-H⋯O hydrogen-bonding inter-actions between symmetry-related mol-ecules.

| S-EPMC2983604 | biostudies-literature

Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts.

Project description:The title compounds, 2-chloroanilinium dihydrogen phosphate (2CADHP) and 4-chloroanilinium dihydrogen phosphate (4CADHP), both C(6)H(7)NCl(+) x H(2)PO(4)(-), form two-dimensional supramolecular organic-inorganic hybrid frameworks. In 2CADHP, the dihydrogen phosphate anions form a double-stranded anionic chain generated parallel to the [010] direction through O-H...O hydrogen bonds, whereas in 4CADHP they form a two-dimensional supramolecular net extending parallel to the crystallographic (001) plane into which the cations are linked through strong N-H...O hydrogen bonds.

| S-EPMC2855582 | biostudies-literature

Fluorometric recognition of both dihydrogen phosphate and iodide by a new flexible anthracene linked benzimidazolium-based receptor.

Project description:A new flexible anthracene linked benzimidazolium-based receptor 1 has been designed, synthesized and its binding properties have been studied by NMR, UV-vis and fluorescence spectroscopic techniques. While the receptor 1 exhibits a greater change in emission in the presence of tetrabutylammonium dihydrogenphosphate in CH(3)CN over the other anions studied, iodide is selectively preferred in CHCl(3) containing 0.1% CH(3)CN. Upon complexation of dihydrogen phosphate and iodide, the emission of 1 gradually decreased without showing any other characteristic change in the spectra. Hydrogen bonding and charge-charge interactions interplay simultaneously in a cooperative manner for selectivity in the binding process.

| S-EPMC3063073 | biostudies-other

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