Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of sodium di-hydrogen arsenate.

ABSTRACT: Single crystals of the title compound, Na(H₂AsO₄), were obtained by partial neutralization of arsenic acid with sodium hydroxide in aqueous solution. The crystal structure of Na(H₂AsO₄) is isotypic with the phosphate analogue and the asymmetric unit consists of two sodium cations and two tetra-hedral H₂AsO₄^- anions. Each of the sodium cations is surrounded by six O atoms of five H₂AsO₄^- groups, defining distorted octa-hedral coordination spheres. In the extended structure, the sodium cations and di-hydrogen arsenate anions are arranged in the form of layers lying parallel to (010). Strong hydrogen bonds [range of O?O distances 2.500?(3)-2.643?(3)?Å] between adjacent H₂AsO₄^- anions are observed within and perpendicular to the layers. The isotypic structure of Na(H₂PO₄) is comparatively discussed.

SUBMITTER: Ring J

PROVIDER: S-EPMC5730308 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of sodium di-hydrogen arsenate.

Ring Joseph J Lindenthal Lorenz L Weil Matthias M Stöger Berthold B

Acta crystallographica. Section E, Crystallographic communications 20170925 Pt 10

Single crystals of the title compound, Na(H2AsO4), were obtained by partial neutralization of arsenic acid with sodium hydroxide in aqueous solution. The crystal structure of Na(H2AsO4) is isotypic with the phosphate analogue and the asymmetric unit consists of two sodium cations and two tetra-hedral H2AsO4- anions. Each of the sodium cations is surrounded by six O atoms of five H2AsO4- ...[more]

PMID: 29250371

Similar Datasets

Crystal structure of 4-sulfamoylanilinium di-hydrogen phosphate.

Project description:In the crystal structure of the title mol-ecular salt, C6H9N2O2S(+)·H2PO4 (-), the sulfomylalinium cations and the di-hydrogen phosphate anions form independent [100] chains through Ns-H?O (s = sulfamo-yl) and O-H?O hydrogen bonds, respectively. The chains are cross-linked by Na-H?O (a = amine) hydrogen bonds, generating (010) sheets. Two C-H?O hydrogen bonds involving diametrically opposite C atoms in the benzene ring of the cation as donors form chains parallel to [202] in which P=O and P-OH groups are acceptors. Together, these inter-actions lead to a three-dimensional network.

| S-EPMC4186100 | biostudies-literature

Crystal structure of 2,5-di-methyl-anilinium hydrogen maleate.

Project description:The crystal structure of the title salt, C8H12N(+)·C4H3O4 (-), consists of a 2,5-di-methyl-anilinium cation and an hydrogen maleate anion. In the anion, a strong intra-molecular O-H?O hydrogen bond is observed, leading to an S(7) graph-set motif. In the crystal, the cations and anions pack in alternating layers parallel to (001). The ammonium group undergoes inter-molecular N-H?O hydrogen-bonding inter-actions with the O atoms of three different hydrogen maleate anions. This results in the formation of ribbons extending parallel to [010] with hydrogen-bonding motifs of the types R (4) 4(12) and R (4) 4(18).

| S-EPMC4257352 | biostudies-literature

Crystal structure of 3,4-di-chloro-anilinium hydrogen phthalate.

Project description:In the title salt, C6H6Cl2N(+)·C8H5O4 (-), the carb-oxy-lic acid and carboxyl-ate groups of the anion form dihedral angles of 20.79 (19) and 74.76 (14)°, respectively, with the plane of the benzene ring. In the crystal, mol-ecules are assembled into a two-dimensional polymeric network parallel to (100) via N-H⋯O and O-H⋯O hydrogen bonds. In addition, within the layer, there are π-π stacking inter-actions between the benzene rings of the cation and the anion [centroid-centroid distance = 3.6794 (17) Å]. A weak C-H⋯O interaction is also observed.

| S-EPMC4518937 | biostudies-literature

Crystal structure of (ferrocenylmeth-yl)di-methyl-ammonium hydrogen oxalate.

Project description:The crystal structure of the title salt, [Fe(C5H5)(C8H13N)](HC2O4), consists of discrete (ferrocenylmeth-yl)di-methyl-ammonium cations and hydrogen oxalate anions. The anions are connected through a strong O-H⋯O hydrogen bond, forming linear chains running parallel to [100]. The cations are linked to the anions through bifurcated N-H⋯(O,O') hydrogen bonds. Weak C-H⋯π inter-actions between neighbouring ferrocenyl moieties are also observed.

| S-EPMC4571364 | biostudies-literature

Double salt crystal structure of hexa-sodium hemiundeca-hydrogen α-hexa-molybdoplatinate(IV) heminona-hydrogen α-hexa-molybdoplatinate(IV) nona-cosa-hydrate: di-hydrogen disordered-mixture double salt.

Project description:The title double salt containing two distinct, differently protonated hexa-molybdoplatinate(IV) polyanions, Na6[H5.5 α-PtMo6O24][H4.5 α-PtMo6O24]·29H2O, has been synthesized by a hydro-thermal reaction at ca pH 1.80. The positions of the H atoms in the polyanions were established from difference Fourier maps and confirmed by the inter-polyanion hydrogen bonds, bond-distance elongation, and bond-valence sum (BVS) calculations. The fractional numbers of H atoms in each polyanion are required for charge balance and in order to avoid unrealistically short H⋯H distances in the inter-polyanion hydrogen bonds. Considering the disorder, the refined formula of the title polyanion, {[H5.5 α-PtMo6O24]; polyanion (A) and [H4.5 α-PtMo6O24]; polyanion (B)}(6-), can be rewritten as a set of real formula, viz. {[H6 α-PtMo6O24]; polyanion (A). [H4 α-PtMo6O24]; polyanion (B)}(6-) and {[H5 α-PtMo6O24]; polyanion (A). [H5 α-PtMo6O24]; polyanion (B)}(6-). The polyanion pairs both form dimers of the same formula, viz. {[H10 α-Pt2Mo12O48]}(6-) connected by seven inter-polyanion O-H⋯O hydrogen bonds.

| S-EPMC4647359 | biostudies-literature

Crystal structure of di-methyl-ammonium hydrogen oxalate hemi(oxalic acid).

Project description:Single crystals of the title salt, Me2NH2 (+)·HC2O4 (-)·0.5H2C2O4, were isolated as a side product from the reaction involving Me2NH, H2C2O4 and Sn(n-Bu)3Cl in a 1:2 ratio in methanol or by the reaction of the (Me2NH2)2C2O4 salt and Sn(CH3)3Cl in a 2:1 ratio in ethanol. The asymmetric unit comprises a di-methyl-ammonium cation (Me2NH2 (+)), an hydrogenoxalate anion (HC2O4 (-)), and half a mol-ecule of oxalic acid (H2C2O4) situated about an inversion center. From a supra-molecular point of view, the three components inter-act together via hydrogen bonding. The Me2NH2 (+) cations and the HC2O4 (-) anions are in close proximity through bifurcated N-H?(O,O) hydrogen bonds, while the HC2O4 (-) anions are organized into infinite chains via O-H?O hydrogen bonds, propagating along the a-axis direction. In addition, the oxalic acid (H2C2O4) mol-ecules play the role of connectors between these chains. Both the carbonyl and hydroxyl groups of each diacid are involved in four inter-molecular inter-actions with two Me2NH2 (+) and two HC2O4 (-) ions of four distinct polymeric chains, via two N-H?O and two O-H?O hydrogen bonds, respectively. The resulting mol-ecular assembly can be viewed as a two-dimensional bilayer-like arrangement lying parallel to (010), and reinforced by a C-H?O hydrogen bond.

| S-EPMC4420082 | biostudies-other

Crystal structure of penta-potassium di-hydrogen nona-vanadato(V)platinate(IV) nona-hydrate.

Project description:The title compound, K5[H2PtV9O28]·9H2O, containing the nona-vanado-platinate(IV) polyanion, was obtained by hydro-thermal reaction at pH = 4.2. The polyanion has approximate mm2 (C 2v ) symmetry. The two platinum-bound μ2-O atoms are protonated in the polyanion. The heteropolyanions form inversion-generated dimers, {[H2PtV9O28]2}(10-), held together by μ2-O-H⋯μ2-O and μ2-O-H⋯μ3-O hydrogen bonds. All K(+) cations are located on general positions of the space group P-1.

| S-EPMC4459313 | biostudies-literature

Crystal structure of catena-poly[[tetra-aqua-magnesium]-μ-(di-hydrogen hypodiphosphato)-κ(2) O:O'].

Project description:The crystal structure of the title compound, [Mg(H2P2O6)(H2O)4] n , is built up from (H2P2O6)(2-) anions bridging Mg(2+) cations into chains extending parallel to [011]. The Mg(2+) ion is located on an inversion centre and is octa-hedrally coordinated by the O atoms of two (H2P2O6)(2-) anions and four water mol-ecules. The centrosymmetric (H2P2O6)(2-) anion has a staggered conformation whereby the tetra-valent phospho-rus atom is surrounded tetra-hedrally by three O atoms and by one symmetry-related P atom. A three-dimensional O-H⋯O hydrogen-bonded network of medium strength involving the P-OH group of the anion and the water mol-ecules is present.

| S-EPMC4518914 | biostudies-literature

A second polymorph of sodium di-hydrogen citrate, NaH2C6H5O7: structure solution from powder diffraction data and DFT comparison.

Project description:The crystal structure of a second polymorph of sodium di-hydrogen citrate, Na(+)·H2C6H5O7 (-), has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The powder pattern of the commercial sample used in this study did not match that corresponding to the known crystal structure [Glusker et al. (1965). Acta Cryst. 19, 561-572; refcode NAHCIT]. In this polymorph, the [NaO7] coordination polyhedra form edge-sharing chains propagating along the a axis, while in NAHCIT the octa-hedral [NaO6] groups form edge-sharing pairs bridged by two hy-droxy groups. The most notable difference is that in this polymorph one of the terminal carboxyl groups is deprotonated, while in NAHCIT the central carboxyl-ate group is deprotonated, as is more typical.

| S-EPMC4908552 | biostudies-literature

Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.

Project description:The crystal structure of caesium di-hydrogen citrate, Cs+·H2C6H5O7-, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The coordination polyhedra of the nine-coordinate Cs+ cations share edges to form chains along the a-axis. These chains are linked by corners along the c-axis. The un-ionized carb-oxy-lic acid groups form two different types of hydrogen bonds; one forms a helical chain along the c-axis, and the other is discrete. The hy-droxy group participates in both intra- and inter-molecular hydrogen bonds.

| S-EPMC5290550 | 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