Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of potassium (1S)-d-lyxit-1-yl-sulfonate monohydrate.

ABSTRACT: The title compound, K(+)·C5H11O8S(-)·H2O [systematic name: potassium (1S,2S,3S,4R)-1,2,3,4,5-penta-hydroxy-pentane-1-sulfonate monohydrate], formed by reaction of d-lyxose with potassium hydrogen sulfite in water, crystallizes as colourless square prisms. The anion has an open-chain structure in which the S atom, the C atoms of the sugar chain and the oxygen atom of the hy-droxy-methyl group form an essentially all-trans chain with the corresponding torsion angles lying between 178.61 (12) and 157.75 (10)°. A three-dimensional bonding network exists in the crystal structure involving coordination of two crystallographically independent potassium ions by O atoms (one cation being hexa- and the other octa-coordinate, with each lying on a twofold rotation axis), and extensive inter-molecular O-H⋯O hydrogen bonding.

SUBMITTER: Haines AH

PROVIDER: S-EPMC4571375 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of potassium (1S)-d-lyxit-1-yl-sulfonate monohydrate.

Haines Alan H AH Hughes David L DL

Acta crystallographica. Section E, Crystallographic communications 20150731 Pt 8

The title compound, K(+)·C5H11O8S(-)·H2O [systematic name: potassium (1S,2S,3S,4R)-1,2,3,4,5-penta-hydroxy-pentane-1-sulfonate monohydrate], formed by reaction of d-lyxose with potassium hydrogen sulfite in water, crystallizes as colourless square prisms. The anion has an open-chain structure in which the S atom, the C atoms of the sugar chain and the oxygen atom of the hy-droxy-methyl group form an essentially all-trans chain with the corresponding torsion angles lying between 178.61 (12) and 1 ...[more]

PMID: 26396774

Similar Datasets

Crystal structure of sodium (1S)-d-lyxit-1-yl-sulfonate.

Project description:The title compound, Na(+)·C5H11O8S(-) [systematic name: sodium (1S,2S,3S,4R)-1,2,3,4,5-penta-hydroxy-pentane-1-sulfonate], is formed by reaction of d-lyxose with sodium bis-ulfite (sodium hydrogen sulfite) in water. The anion has an open-chain structure in which one of the oxygen atoms of the sulfonate residue, the S atom, the C atoms of the sugar chain and the O atom of the hy-droxy-methyl group form an essentially planar zigzag chain with the corresponding torsion angles lying between 179.80 (11) and 167.74 (14)°. A three-dimensional bonding network exists in the crystal structure involving hexa-coordination of sodium ions by O atoms, three of which are provided by a single d-lyxose-sulfonate unit and the other three by two sulfonate groups and one hy-droxy-methyl group, each from separate units of the adduct. Extensive inter-molecular O-H⋯O hydrogen bonding supplements this bonding network.

| S-EPMC4908541 | biostudies-literature

Crystal structure of potassium (1R)-d-ribit-1-yl-sulfonate.

Project description:The title compound, K(+)·C5H11O8S(-) [systematic name: potassium (1R,2R,3R,4R)-1,2,3,4,5-penta-hydroxy-pentane-1-sulfonate], formed by reaction of d-ribose with potassium hydrogen sulfite in water, crystallizes as colourless plates. The anion has an open-chain structure in which the S atom and the C atoms of the sugar chain, excepting that of the hy-droxy-methyl group, form an essentially all-trans chain; the C atom of the hy-droxy-methyl group lies in a gauche relationship with the three contiguous C atoms. Through complex cation coordination (through seven oxygen atoms of six different anions) and inter-molecular O-H⋯O hydrogen bonding, a three-dimensional bonding network exists in the crystal structure.

| S-EPMC4257350 | biostudies-literature

Potassium 2-iodo-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title compound, K(+)·C(6)H(4)IO(3)S(-)·H(2)O, the potasium cation is 2.693 (3)-2.933 (3) Å from the sulfonate and water O atoms (including symmetry-related atoms) and forms a two-dimensional sheet-like structure in the bc plane, with the iodo-benzene rings protruding above and below. The water mol-ecule of crystallization is hydrogen-bonded to sulfonate O atoms within this two-dimensional arrangement. Symmetry-related iodo-benzene rings are arranged perpendicular to one another with the I atom ca 4.1 Å from the centroid of the neighbouring benzene ring. In the crystal structure, these two-dimensional sheet-like supramolecular structures are arranged parallel to one another, stacked along the a-axis direction, with the benzene rings inter-digitated.

| S-EPMC2961920 | biostudies-literature

Crystal structure of tetra-methyl-tetra-thia-fulvalenium (1S)-camphor-10-sulfonate dihydrate.

Project description:Electro-oxidation of tetra-methyl-tetra-thia-fulvalene (TMTTF) in the presence of the chiral anion (1S)-camphor-10-sulfonate (S-camphSO3 (-)) in tetra-hydro-furan/water medium afforded a 1/1 salt formulated as TMTTF·S-camphSO3·2H2O or 2-(4,5-dimethyl-1,3-di-thiol-2-yl-idene)-4,5-dimethyl-1,3-di-thiole radical ion (1+) [(1S)-7,7-dimethyl-2-oxobi-cyclo-[2.2.1]heptan-1-yl]methane-sulfonate dihydrate, C10H12S4 (+)·C10H15O4S(-)·2H2O. In this salt, two independent TMTTF units are present but, in both cases, the observed bond lengths and especially the central C=C distance [1.392 (6) and 1.378 (6) Å] are in agreement with a complete oxidation of TMTTF which is thus present as TMTTF (.) (+) radical cations. These cations form one-dimensional stacks in which they are associated two by two, forming dimers with short [3.472 (1) to 3.554 (2) Å] S⋯S contacts. The two S-camphSO3 anions present also form stacks and are connected with each other via the water mol-ecules with many O-H⋯O hydrogen bonds ranging from 1.86 (3) to 2.15 (4) Å; the O-H⋯O hydrogen-bonding network can be described as being constituted of C 2 (2)(6) chains bearing R 3 (3)(11) lateral rings. On the other hand, the columns of cations and anions are connected through C-H⋯O hydrogen bonds, forming a system expanding in three directions; finally, the result is a three-dimensional network of O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC4518967 | biostudies-literature

Crystal structure of zwitterionic 2-[bis-(2-meth-oxy-phen-yl)phosphanium-yl]-4-methyl-benzene-sulfonate monohydrate di-chloro-methane monosolvate.

Project description:In the title compound, C21H21O5PS·H2O·CH2Cl2, the phospho-nium-sulfonate zwitterion has the acidic H atom located on the P atom rather than the sulfonate group. The S-O bond lengths [1.4453 (15)-1.4521 (14) Å] are essentially equal. In the crystal, the water mol-ecules bridge two zwitterions via Owater-H⋯Osulfonate hydrogen bonds into a centrosymmetric dimer. The dimers are further linked by weak CAr-yl-H⋯Osulfonate hydrogen bonds into chains extending along [100]. The PH(+) group is not involved in inter-molecular inter-actions.

| S-EPMC4770967 | biostudies-literature

Sodium (1R)-d-glucit-1-yl-sulfonate monohydrate.

Project description:The title salt, Na(+)·C(6)H(13)O(9)S(-)·H(2)O, crystallizes with three independent cations, molecular anions and solvent water molecules in the asymmetric unit. This crystalline monohydrate addition product, formed by reaction of d-glucose and sodium hydrogen sulfite in water, forms a three-dimensional network through complex cation coordination and extensive inter-molecular hydrogen bonding. Each of the independent mol-ecules has an open-chain structure with the carbon chains adopting a sickle-like conformation, similar to that found in the potassium salt [Cole et al. (2001 ▶). Carbohydr. Res.335, 1-10], but there are significant differences in the patterns of complexation.

| S-EPMC3343795 | biostudies-literature

Crystal structure of 4-methyl-N-[2-(piperidin-1-yl)eth-yl]benzamide monohydrate.

Project description:In the title compound, C15H22N2O·H2O, the dihedral angle between the planes of the piperidine and benzene rings is 31.63 (1)°. The piperidine ring adopts a chair conformation. The water solvent mol-ecule is involved in inter-species O-H⋯O, O-H⋯N, N-H⋯O and weak C-H⋯O hydrogen-bonding inter-actions, giving rise to chains extending along [010].

| S-EPMC4420061 | biostudies-literature

Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)eth-yl]benzamide monohydrate.

Project description:In the title compound, C14H19ClN2O2·H2O, the piperdine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and that of the phenyl ring is 41.64 (1)°. In the crystal, mol-ecules are linked by O-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds involving the water mol-ecule, forming double-stranded chains propagating along [010].

| S-EPMC4331843 | biostudies-literature

Potassium [(1S)-1-azido-2-phenyl-eth-yl]trifluorido-borate.

Project description:The title compound, K(+)·C(8)H(8)BF(3)N(3) (-), is a salt containing the chiral organic trifluorido-borate anion. The organic anions and potassium cations are tightly bound to each other by the coordination K-F [2.654 (3)-3.102 (3) Å] and K-N [2.951 (4)-3.338 (4) Å] inter-actions. Thus, the potassium cation adopts a nine-vertex coordination polyhedron, which can be described as a distorted monocapped tetra-gonal anti-prism. In the crystal, the organic anions and potassium cations form layers parallel to (001). Weak C-H⋯π inter-actions between neighbouring phenyl rings further stabilize the crystal.

| S-EPMC3414117 | biostudies-literature

4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.

Project description:In the title salt, C(8)H(9)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the dihedral angle between the cation and anion benzene rings is 50.1 (4)°. In the cation, the cyano-methyl group is twisted from the plane of the benzene ring [C-C-C-N = -86 (12)°]. In the crystal, the cations, anions and water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a chain along the c axis.

| S-EPMC3007019 | 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