Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[?-2,3-dihydroxy-propan-1-olato-sodium].

ABSTRACT: The Na(+) cation in the title compound, [Na(C(3)H(7)O(3))](n) or Na[H(2)gl], is coordinated by five O atoms leading to a distorted trigonal-bipyramidal geometry. The negatively charged O atom of the glycerolate anion is in an equatorial position, and the O atom of the hydroxo group, attached to the secondary C atom, occupies an axial position completing a five-membered non-planar chelate ring; this defines the asymmetric unit. The Na(+) cation is coordinated by three other symmetry-related monodentate H(2)gl(-) ligands, so that each H(2)gl(-) ligand is bonded to four Na(+) ions. The H(2)gl(-) ligands are connected via strong O-H?O hydrogen bonds and these, together with the Na?O inter-connections, are responsible for the formation of polymeric sheets which propagate in the directions of the b and c axes.

SUBMITTER: Schatte G

PROVIDER: S-EPMC2979472 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[μ-2,3-dihydroxy-propan-1-olato-sodium].

Schatte Gabriele G Shen Jianheng J Reaney Martin M Sammynaiken Ramaswami R

Acta crystallographica. Section E, Structure reports online 20100512 Pt 6

The Na(+) cation in the title compound, [Na(C(3)H(7)O(3))](n) or Na[H(2)gl], is coordinated by five O atoms leading to a distorted trigonal-bipyramidal geometry. The negatively charged O atom of the glycerolate anion is in an equatorial position, and the O atom of the hydroxo group, attached to the secondary C atom, occupies an axial position completing a five-membered non-planar chelate ring; this defines the asymmetric unit. The Na(+) cation is coordinated by three other symmetry-related monod ...[more]

PMID: 21579288

Similar Datasets

Poly[μ-(1,3-dihy-droxy-propan-2-olato)-potassium].

Project description:The asymmetric unit of the title compound, [K(C(3)H(7)O(3))](n) or K[H(2)gl](n), common name potassium glycerolate, contains half the K(+) cation and half of the glycerolate anion. The other half of the anion is generated through a mirror plane passing through the K atom, and a C, an H and an O atom of the glycerolate ligand. The K(+) ion is coordinated by the O atoms of the OH groups, leading to a six-membered chelate ring that adopts a very distorted boat conformation. The negatively charged O atom of the glycerolate anion, [H(2)gl(-)], is found in the flagpole position and forms an ionic bond with the K(+) ion. The O atoms of the hydroxo groups are coordinated to two K(+) ions, whereas the negatively charged O atom is bonded to one K(+) ion. The K(+) ion is coordinated by three other symmetry-related monodentate H(2)gl(-) ligands, so that each H(2)gl(-) ligand is bonded to two K(+) ions, and the potassium has a seven-coordinate environment. The H(2)gl(-) ligands are connected via a strong O-H⋯O hydrogen bond and, together with the K⋯O inter-connections, form polymeric sheets which propagate in the directions of the a and b axes.

| S-EPMC3051664 | biostudies-literature

Poly[aqua-[μ-4-(4-chloro-phen-yl)-2-thioxo-2,3-dihydro-thia-zol-3-olato]-sodium(I)].

Project description:The packing of the title compound, [Na(C(9)H(5)ClNOS(2))(H(2)O)](n), in the crystal structure occurs by pairwise attachment of +sc- and -sc-arranged 4-(4-chloro-phen-yl)-2-thioxo-2,3-dihydro-thia-zol-3-olate subunits via S to sodium. Water mol-ecules that are bound in the axial position of the distorted octa-hedral coordination octahedron give rise to a stereogenic center at sodium.

| S-EPMC2960372 | biostudies-literature

(S)-1-Hydroxy-propan-2-aminium (2R,3R)-3-carb-oxy-2,3-dihydroxy-propanoate monohydrate.

Project description:The chiral title compound, C(4)H(10)NO(+)·C(4)H(5)O(6) (-)·H(2)O, is a hydrated mol-ecular salt in which the tartaric acid has transferred one proton to the (S)-2-amino-propan-1-ol mol-ecule. The crystal structure is stabilized by a three-dimensional network of N-H⋯O and O-H⋯O hydrogen bonds. The absolute configuration was assigned on the basis of the starting materials.

| S-EPMC2960284 | biostudies-literature

Guanidinium 3-carb-oxy-2,3-dihydroxy-propanoate monohydrate.

Project description:In the title hydrated salt, CH(6)N(3) (+)·C(4)H(5)O(6) (-)·H(2)O, the deprotonated carboxyl group is disordered over two positions with a site-occupancy ratio of 0.945?(3):0.055?(3). The bond lengths in the guanidinium cation are inter-mediate between normal C-N and C=N bond lengths, indicating significant delocalization in this species. In the crystal structure, anions and water mol-ecules are linked into sheets parallel to the ab plane by inter-molecular O-H?O hydrogen bonds. The linking of the anions and water mol-ecules with the cations by inter-molecular N-H?O hydrogen bonds creates a three-dimensional network.

| S-EPMC2970441 | biostudies-literature

Tetra-kis[μ<sub>2</sub>-1,1,1,3,3,3-hexa-fluoro-2-(tri-fluoro-meth-yl)propan-2-olato]tetra-kis-(μ<sub>3</sub>-2-methyl-propan-2-olato)octa-copper(I).

Project description:The title compound, [Cu8(C4H9O)4(C4F9O)4], crystallizes in the monoclinic space group, P21/n and contains a self-assembly of two C16H18Cu4F18O4 units linked by bridging tert-butyl groups [Cu-O bonds of length 2.3779 (15) and 2.4248 (15) Å], generating a centrosymmetric dimer. The asymmetrical unit, C16H18Cu4F18O4, contains an almost square-planar arrangement of the four Cu atoms linked by bridging tert-butyl and perfluorinated tert-butyl groups with Cu-Cu distances ranging from 2.7108 (4) to 2.7612 (4) Å and Cu -Cu-Cu angle values close to 90° [ranging from 89.459 (10)° to 90.025 (11)°]. These dimers are further linked by weak C-H⋯F and F⋯F inter-actions. As is commonly encountered in perfluorinated tert-butyl groups, one of the CF3 groups is disordered and was refined with two equivalent conformations with occupancies of 0.74 (3) and 0.26 (3).

| S-EPMC8183444 | biostudies-literature

1,4-Dihydroxy-quinoxaline-2,3(1H,4H)-dione.

Project description:The asymmetric unit of the title compound, C(8)H(6)N(2)O(4), contains one half-mol-ecule; a twofold rotation axis bisects the molecule. The quinoxaline ring is planar, which can be attributed to electron delocalization. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into R(2) (2)(10) motifs, leading to layers, which inter-act via phen-yl-phenyl inter-actions (C?C distances in the range 3.238-3.521?Å).

| S-EPMC2960817 | biostudies-other

Bis(5-chloro-quinolin-8-olato-?N,O)bis-(propan-2-olato-?O)titanium(IV).

Project description:The Ti(IV) atom in the title compound, [Ti(C(9)H(5)ClNO)(2)(C(3)H(7)O)(2)], is chelated by the substituted quinolin-8-olate anions in a distorted octa-hedral geometry. The N-donor atoms are in a cis alignment as are the O atoms of the propan-2-olate groups; the O atoms of the quinolin-8-olate groups are trans to each other. One C atom of one propan-2-olate group is disordered over two positions with occupancies of 0.733?(8):0.267?(8).

| S-EPMC2968443 | biostudies-other

Bis(?-propan-2-olato-?O:O)bis-[chlor-ido(propan-2-ol-?O)bis-(pro-pan-1-ol-ato-?O)tin(IV)].

Project description:The binuclear centrosymmetric title compound, [Sn(2)(C(3)H(7)O)(6)Cl(2)(C(3)H(8)O)(2)], exhibits an edge-shared double octahedral exhibits an edge-shared octa-hedral structure, which is distorted owing to the presence of asymmetric intra-molecular hydrogen bonds between the axially coordinated isopropanol and isopropoxide ligands. The H atom of the hy-droxy group is located nearer to an isoprop-oxy group with the longest Sn-O bond [2.1789?(17)?Å].

| S-EPMC3297279 | biostudies-literature

N'-(2,3-Dimethoxy-benzyl-idene)-2,4-dihydroxy-benzohydrazide.

Project description:In the title compound, C(16)H(16)N(2)O(5), the dihedral angle between the two benzene rings is 8.5?(3)° and the mol-ecule adopts an E configuration with respect to the C=N bond. There is an intra-molecular N-H?O hydrogen bond in the mol-ecule, which generates an S(6) ring. In the crystal, mol-ecules are linked through inter-molecular O-H?O hydrogen bonds, forming layers parallel to the bc plane.

| S-EPMC2979254 | biostudies-other

Tetra-aqua-[3-oxo-1,3-bis-(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate.

Project description:The crystal structure of the title compound, [Ni(C13H11N2O2)(H2O)4]Br3·2H2O, contains an octa-hedral NiII atom coordinated to the enol form of 1,3-di-pyridyl-propane-1,3-dione (dppo) and four water mol-ecules. Both pyridyl rings on the ligand are protonated, forming pyridinium rings and creating an overall ligand charge of +1. The protonated nitro-gen-containing rings are involved in hydrogen-bonding inter-actions with neighoring bromide anions. There are many additional hydrogen-bonding inter-actions involving coordinated water mol-ecules on the NiII atom, bromide anions and hydration water mol-ecules.

| S-EPMC7001841 | 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