Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-O-Benzyl-6-O-benzoyl-1,2-O-isopropil-idene-5-C-nitro-methyl-a-d-glucofuran-ose.

ABSTRACT: The title compound, C(24)H(27)NO(9), is one of the epimers of the Henry reaction of 3-O-benzyl-6-O-benzoyl-2-O-isopropyl-idene-a-d-glucofuran-5-one with nitro-methane. The conformation of the five membered rings is as expected from the precursor compound and the mol-ecule is folded with a dihedral angle of 51.4?(2)° between the aromatic rings. One O-H?O hydrogen bond and some intra-molecular and inter-molecular C-H?O inter-actions are observed in the structure.

SUBMITTER: Pampin B

PROVIDER: S-EPMC2968333 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-O-Benzyl-6-O-benzoyl-1,2-O-isopropil-idene-5-C-nitro-methyl-a-d-glucofuran-ose.

Pampín Begoña B Valencia Laura L Estévez Juan C JC Estévez Ramón J RJ

Acta crystallographica. Section E, Structure reports online 20090117 Pt 2

The title compound, C(24)H(27)NO(9), is one of the epimers of the Henry reaction of 3-O-benzyl-6-O-benzoyl-2-O-isopropyl-idene-a-d-glucofuran-5-one with nitro-methane. The conformation of the five membered rings is as expected from the precursor compound and the mol-ecule is folded with a dihedral angle of 51.4 (2)° between the aromatic rings. One O-H⋯O hydrogen bond and some intra-molecular and inter-molecular C-H⋯O inter-actions are observed in the structure. ...[more]

PMID: 21581936

Similar Datasets

1,2;5,6-Di-O-isopropyl-idene-3-C-nitro-methyl-?-d-allofuran-ose.

Project description:The mol-ecule of the title compound, C(13)H(21)NO(8), consists of two methyl-enedi-oxy rings and one tetra-hydro-furan ring. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into helical chains running along the 6(1) screw axis. Weak inter-molecular C-H?O hydrogen bonds help to stabilize the crystal packing. Voids of 245?Å(3) per unit cell occur.

| S-EPMC3120445 | biostudies-literature

N-Benzyl-3,5-dide-oxy-3,5-imino-1,2-O-isopropyl-idene-?-l-lyxofuran-ose.

Project description:X-ray crystallography confirmed the formation, structure and relative stereochemistry of the title compound, C(15)H(19)NO(3), which contains a sterically congested four-membered azetidine ring system. The absolute configuration was determined by the use of l-arabinose as the starting material.

| S-EPMC3414331 | biostudies-literature

(E)-Methyl 3-(2-nitro-benzyl-idene)dithio-carbazate.

Project description:The asymmetric unit of the title compound, C(9)H(9)N(3)O(2)S(2), contains two independent mol-ecules, A and B, with similar bond dimensions. In both mol-ecules, the nitro group is tilted with respect to the aromatic ring [dihedral angles 32.0?(1)° in mol-ecule A and 34.0?(1)° in mol-ecule B]. The dithio-carbazate unit is nearly coplanar with the aromatic ring in both mol-ecules. For mol-ecule B, pairs of mol-ecules are linked by N-H?O and C-H?O hydrogen bonds about a centre of symmetry to form a dimer, whereas mol-ecules A are not involved in hydrogen bonding in the crystal structure.

| S-EPMC2915011 | biostudies-literature

(E)-4-Methyl-N'-(3-nitro-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(13)N(3)O(3), the dihedral angle between the benzene rings is 1.01?(3)° and that between the nitro group and its attached ring is 5.99?(15)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds generating C(4) chains along [010].

| S-EPMC3379220 | biostudies-literature

1,2:5,6-Di-O-iso-propyl-idene-3-C-methyl-?-d-allo-furan-ose.

Project description:The title carbohydrate, C13H22O6, is a derivative of d-glycose, in which the furan-osidic and iso-propyl-idene rings are in twisted conformations. The mean plane of the furan-osidic ring makes a dihedral angle of 70.32?(18)° with the mean plane of the fused iso-propyl-idene ring. The methyl groups in the other iso-propyl-idene ring are disordered over two sets of sites, with an occupancy ratio of 0.74?(6):0.26?(6). In the crystal, mol-ecules are linked by O-H?O hydrogen bonds into chains with graph-set notation C(5) along [100]. Weak C-H?O interactions also occur.

| S-EPMC3790382 | biostudies-literature

3,5-Di-O-benzoyl-1,2-O-isopropyl-idene-α-d-ribo-hexos-3-ulo-1,4:3,6-difuran-ose.

Project description:The title compound, C(23)H(22)O(8), is a binary benzoyl ester whose nucleus consists of a fused system made up of a methyl-enedi-oxy ring and two tetra-hydro-furan rings. One of the benzoyl ester groups is attached at the junction of the two tetra-hydro-furan rings. The other is attached to the outer tetra-furan ring. Both the benzoyl ester groups are in an axial conformation with respect to the outer tetrhydro-furan ring. In the crystal, mol-ecules are linked by two weak C-H⋯O hydrogen bonds, forming a chain running parallel to the a axis.

| S-EPMC3151936 | biostudies-literature

N'-[(Z)-4-Methyl-benzyl-idene]-4-nitro-benzohydrazide monohydrate.

Project description:In the title compound, C(15)H(13)N(3)O(3)·H(2)O, the two benzene rings form a dihedral angle of 2.03?(2)°. In the crystal structure, adjacent hydrazide mol-ecules are linked into dimers by water mol-ecules; these dimers are then stacked along the b axis. Inter-molecular O-H?O, O-H?N and C-H?O hydrogen bonds and a ?-? stacking inter-action between the nitro-benzene and tolyl rings with a centroid-centroid distance of 3.8208?(3)?Å are observed. There is also a short O?N contact [2.6824?(7)?Å].

| S-EPMC2960119 | biostudies-literature

4-Methyl-N-(4-nitro-benzyl-idene)piperazin-1-amine.

Project description:In the title compound, C12H16N4O2, the piperazine ring is in a slightly distorted chair conformation. In the mol-ecule, the mean plane of the nitro group is twisted by 8.0?(3)° from that of the benzene ring. Also, the mean plane of the 2-nitro-benzyl ring is twisted slightly from that of the piperazine ring, with an N-N=C-C torsion angle of -176.24?(11)°. In the crystal, pairs of weak C-H?O inter-actions link the mol-ecules into dimers approximately along [010].

| S-EPMC3884341 | biostudies-literature

3,4-Dimethyl-N-[(E)-3-nitro-benzyl-idene]-1,2-oxazol-5-amine.

Project description:In the title compound, C(12)H(11)N(3)O(3), the dihedral angle between the 3-nitro-benzaldehyde and 5-amino-3,4-dimethyl-1,2-oxazole moieties is 2.46?(12)°. The mol-ecule is close to planar, the r.m.s. deviation for the non-H atoms being 0.028?Å. The packing only features van der Waals inter-actions between the mol-ecules.

| S-EPMC2983195 | biostudies-literature

1,2-Bis(2-hy-droxy-5-methyl-benzyl-idene)hydrazine.

Project description:The mol-ecular structure of the title compound, C16H16N2O2, is stabilized by intra-molecular O-H?N hydrogen bonds with S(6) graph-set motifs, so that the mol-ecule is almost planar, with a C=N-N=C torsion angle of -179.7?(2)° and a dihedral angle of 1.82?(12)° between the aromatic rings. In the crystal, weak C-H?? inter-actions lead to the formation of a three-dimensional network.

| S-EPMC3884483 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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