Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3,4-Tri-O-acetyl-β-d-xylosyl 2,4-dichloro-phenoxy-acetate.

ABSTRACT: In the title compound, C(19)H(20)Cl(2)O(10), the hexopyranosyl ring adopts a chair conformation. The four substituents are in equatorial positions. The mol-ecules arelinked via C-H⋯O contacts along the a axis.

SUBMITTER: Wang X

PROVIDER: S-EPMC2960953 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,3,4-Tri-O-acetyl-β-d-xylosyl 2,4-dichloro-phenoxy-acetate.

Wang Xiaoming X Li Xinyuan X Yin Yale Y Pang Yanjun Y Yang Yonghua Y

Acta crystallographica. Section E, Structure reports online 20080305 Pt 4

In the title compound, C(19)H(20)Cl(2)O(10), the hexopyranosyl ring adopts a chair conformation. The four substituents are in equatorial positions. The mol-ecules arelinked via C-H⋯O contacts along the a axis. ...[more]

PMID: 21202063

Similar Datasets

2,3,4-Tri-O-acetyl-β-l-arabinopyranosyl trichloro-acetimidate.

Project description:In the title compound, C(13)H(16)Cl(3)NO(8), the trichloro-acetimidate group is located in an axial postion on the anomeric carbon of the sugar ring.

| S-EPMC3051454 | biostudies-literature

Acetyl α-d-2,3,4-tri-acetyl-lyxo-pyran-oside.

Project description:The structure of the title compound, C13H18O9, has monoclinic (P21) symmetry. It is of inter-est with respect to stereochemistry and the anomeric effect. Two acetyl subsituents adopt equatorial orientations and two are axial. The extended structure displays C-H⋯O hydrogen bonding.

| S-EPMC11799778 | biostudies-literature

4-Butyl-1-(2,3,4-tri-O-acetyl-β-l-fuco-pyranos-yl)-1H-1,2,3-triazole.

Project description:The title compound, C(18)H(27)N(3)O(7), was synthesized by Cu(I)-catalysed coupling of an azide with an alkyne as part of a study into the synthesis of N-glycosyl-1,2,3-triazoles. The crystal structure confirms the selective formation of the β-conformer of the pyran-ose N-glycoside, thus confirming the retention of stereochemistry during heterocycle formation with the N-glycosyl triazole group occupying the equatorial position at the anomeric C atom. The structure exhibits two crystallographically independent mol-ecules (A and B) with essentially identical conformations with a weighted r.m.s. deviation of only 0.09 Å. The mol-ecules are arranged in layers with hydro-phobic and more polar sections built from the butyl triazole units on the one hand and the more polar moieties dominated by the carbohydrate units on the other. Within the polar layers, inter-molecular inter-actions are dominated by a three-dimensional network of weak C-H⋯O hydrogen bonds with the acetyl keto O atoms as the hydrogen-bond acceptors. The triazole units inter-act with each other via C-H⋯N hydrogen bonds which connect the mol-ecules into two infinite chains of mol-ecules made up of either A mol-ecules or B mol-ecules that stretch parallel to each other along [100]. Between the butyl groups no directional inter-actions are observed.

| S-EPMC2977263 | biostudies-literature

5-(2,4-Dichloro-phenoxy-meth-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(9)H(7)Cl(2)N(3)OS, was synthesized by the reaction of 2,4-dichloro-phenoxy-acetic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and benzene rings is 21.5 (2)°. In the crystal, inter-molecular N-H⋯N hydrogen bonding links the mol-ecules into chains along the b axis.

| S-EPMC2977151 | biostudies-literature

Poly[diaqua-bis[?(2)-2,4-(dichloro-phenoxy)-acetato-?O:O']iron(II)].

Project description:In the title compound, [Fe(C(8)H(5)Cl(2)O(3))(2)(H(2)O)(2)](n), the Fe(II) atom is located on an inversion center. It is coordinated by four O atoms from four 2,4-dichloro-phenoxy-acetate ligands and two water mol-ecules, displaying a distorted octa-hedral geometry. The carboxyl-ate groups of the 2,4-dichloro-phenoxy-acetate ligands link the Fe atoms, forming a polymeric layered network in the bc plane. Intra-layer O-H?O hydrogen bonds enhance the stability of the two-dimensional network.

| S-EPMC2959489 | biostudies-literature

Ammonium 2-(2,4-dichloro-phen-oxy)acetate hemihydrate.

Project description:The title compound, NH(4) (+)·C(8)H(7)Cl(2)O(6) (-)·0.5H(2)O, was prepared by the reaction of 2-(2,4-dichloro-phen-oxy)-acetic acid and ammonia in water at 367 K. The mol-ecular structure and packing are stabilized by N-H⋯O and O-H⋯O inter-molecular hydrogen-bond inter-actions.

| S-EPMC2977423 | biostudies-literature

Benzimidazolium 2-(2,4-dichloro-phen-oxy)acetate monohydrate.

Project description:In the crystal of the title hydrated mol-ecular salt, C(7)H(7)N(2) (+)·C(8)H(5)Cl(2)O(3)·H(2)O, the components inter-act by way of N-H⋯O and O-H⋯O hydrogen bonds, leading to chains propagating in [100].

| S-EPMC2972003 | biostudies-literature

3-Methyl-2,6-dinitro-N-(3-pent-yl)-4-[(2,3,4-tri-O-acetyl-β-d-xylos-yl)amino-methyl]-aniline.

Project description:In the title compound, C(24)H(34)N(4)O(11), the hexopyranosyl ring adopts a chair conformation. The four substituents are in equatorial positions. The mol-ecule shows an intra-molecular N-H⋯O hydrogen bond.

| S-EPMC2962232 | biostudies-literature

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 2,3,4-tri-O-acetyl-?-d-xyloside.

Project description:The title compound, C(19)H(19)NO(10), was obtained from the reaction of ?-d-1-bromo-2,3,4-tri-O-acetylxylose with N-hy-droxy-phthalimide in the presence of potassium carbonate. The asymmetric unit contains two independent mol-ecules, in which the O-CH-O-N torsion angles are 73.0?(4) and 65.0?(4)°. The hexa-pyranosyl rings adopt chair conformations and the substituent groups are in equatorial positions. In the crystal, mol-ecules are linked by nonclassical C-H?O hydrogen bonds.

| S-EPMC3295429 | biostudies-literature

1,3,4-Tri-O-acetyl-2-N-(tri-fluoro-acetyl)-β-l-fucose.

Project description:The title compound, C14H18F3NO8, was produced through conjugation of 1,3,4-tri-O-acetyl-2-azidode-oxy-α,β-l-fucose with tri-fluoro-acetyl chloride in the presence of bis-(di-phenyl-phosphino)ethane in tetra-hydro-furan at room temperature. The X-ray crystal structure reveals that the β-anomer of the product mixture crystallizes from ethyl acetate/hexa-nes. The compound exists in a typical chair conformation with the maximum possible number of substituents, four out of five, located in the sterically preferred equatorial positions. The major directional force facilitating packing of the mol-ecules are N-H⋯O hydrogen bonds involving the amide moieties of neighboring mol-ecules, which connect mol-ecules stacked along the a-axis direction into infinite strands with a C (1) 1(4) graph-set motif. Formation of the strands is assisted by a number of weaker C-H⋯O inter-actions involving the methine and methyl H atoms. These strands are connected through further C-H⋯O and C-H⋯F inter-actions into a three dimensional network.

| S-EPMC3998300 | 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