Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-N-Benzyl-2,6-dide-oxy-2,6-imino-3,4-O-isopropyl-idene-3-C-methyl-d-allono-nitrile.

ABSTRACT: X-ray crystallography firmly established the relative stereochemistry of the title compound, C(17)H(22)N(2)O(3). The absolute configuration was determined by use of 2-C-methyl-d-ribonolactone as the starting material. The compound exists as O-H?N hydrogen-bonded chains of mol-ecules running parallel to the a-axis.

SUBMITTER: Ayers BJ

PROVIDER: S-EPMC3344585 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-N-Benzyl-2,6-dide-oxy-2,6-imino-3,4-O-isopropyl-idene-3-C-methyl-d-allono-nitrile.

Ayers Benjamin J BJ Jenkinson Sarah F SF Fleet George W J GW Thompson Amber L AL

Acta crystallographica. Section E, Structure reports online 20120421 Pt 5

X-ray crystallography firmly established the relative stereochemistry of the title compound, C(17)H(22)N(2)O(3). The absolute configuration was determined by use of 2-C-methyl-d-ribonolactone as the starting material. The compound exists as O-H⋯N hydrogen-bonded chains of mol-ecules running parallel to the a-axis. ...[more]

PMID: 22590347

Similar Datasets

2-N-Benzyl-2,6-dide-oxy-2,6-imino-3,4-O-iso-propyl-idene-d-allono-nitrile.

Project description:X-ray crystallography firmly established the relative stereochemistry of the title compound, C16H20N2O3. The acetonide ring adopts an envelope conformation with one of the O atoms as the flap and the piperidine ring adopts a slightly twisted boat conformation. The absolute configuration was determined by use of d-ribose as the starting material. The compound exists as O-H?O hydrogen-bonded chains of mol-ecules running parallel to the b axis.

| S-EPMC3885044 | biostudies-other

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

2,6-Dide-oxy-2,6-imino-l-glycero-d-ido-heptitol.

Project description:The title mol-ecule, C(7)H(15)NO(5), the major product from selective enzymatic oxidation followed by hydrogeno-lysis of the corresponding azido-heptitol, was found by X-ray crystallography to exisit in a chair conformation with three axial hydroxyl groups. One of the hydroxymethyl groups is disordered over two sets of sites in a 0.590?(3):0.410?(3) ratio. In the crystal, O-H?O, O-H?(O,O), O-H?N and N-H?O hydrogen bonding occurs.

| S-EPMC2977159 | biostudies-literature

8-Eth-oxy-3-(4-isopropyl-benzyl-idene)-6-methyl-chroman-4-one.

Project description:In the title compound, C(22)H(24)O(3), the non-fused benzene ring makes a dihedral angle of 52.56?(7)° with the benzene ring of the chromanone unit. The mol-ecular structure is stabilized by a weak intra-molecular C-H?O inter-action and the crystal packing is stabilized by weak inter-molecular C-H?O inter-actions. The isopropyl group is disordered over two positions, with site occupancies of 0.48/0.52.

| S-EPMC2915370 | biostudies-literature

N-Benzyl-1,3-dide-oxy-1,3-imino-l-xylitol.

Project description:The structure determination confirms the stereochemistry of the title compound, C(12)H(17)NO(3), which contains a four-membered azetidine ring system. The absolute configuration was determined by the use of d-glucose as the starting material. In the crystal, O-H?O and O-H?N hydrogen bonds link the mol-ecules into layers in the ab plane.

| S-EPMC3200798 | biostudies-other

3,4-O-Isopropyl-idene-2-C-methyl-d-galactonolactone.

Project description:X-ray crystallography unequivocally confirmed the stereochemistry of the 2-C-methyl group in the title mol-ecule, C(10)H(16)O(6), in which the 1,5-lactone ring exists in a boat conformation. The use of d-galactose in the synthesis determined the absolute stereochemistry. The crystal exists as O-H?O hydrogen-bonded layers in the ab plane, with each mol-ecule acting as a donor and acceptor for two hydrogen bonds.

| S-EPMC2979786 | biostudies-literature

N'-(3,4-Dimeth-oxy-benzyl-idene)benzo-hydrazide.

Project description:The crystal structure of the title Schiff base compound, C(16)H(16)N(2)O(3), is characterized by chains of mol-ecules linked by inter-molecular N-H?O hydrogen bonds running along the c axis. Further stabilization is provided by weak C-H?O contacts. The dihedral angle between the aromatic rings is 38.31?(7)°.

| S-EPMC3050232 | biostudies-literature

2-[(E)-3,4-Dimeth-oxy-benzyl-idene]hydrazinecarboxamide.

Project description:In the title compound, C(10)H(13)N(3)O(3), the 3,4-dimeth-oxy-benzyl-idene and hydrazinecarboxamide groups are oriented at a dihedral angle of 53.82?(6)° and an intra-molecular N-H?N hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into sheets propagating in (-201), which feature R(1) (2)(5), R(2) (2)(8) and R(2) (4)(14) loops.

| S-EPMC3379314 | biostudies-literature

3,4-Dimeth-oxy-N-(3-nitro-benzyl-idene)aniline.

Project description:The title compound, C(15)H(14)N(2)O(4), has two crystallographically independent mol-ecules in the asymmetric unit. In both mol-ecules, the nitro and the two meth-oxy substituents are coplanar with the benzene rings to which they are attached. The benzene rings are nearly coplanar, with dihedral angles between the two benzene rings of 10.39?(8) and 5.95?(8)° in the two mol-ecules. The two independent mol-ecules in the asymmetric unit are rotated with respect to each other such that the dihedral angles between equivalent benzene rings are 49.11?(8) and 63.93?(8)°. In the crystal structure, inter-molecular C-H?O hydrogen-bond contacts and a weak C-H?? inter-action are observed.

| S-EPMC2959659 | biostudies-literature

3,4-Dimeth-oxy-N-(4-nitro-benzyl-idene)-aniline.

Project description:In the title mol-ecule, C(15)H(14)N(2)O(4), the dihedral angle between the two benzene rings is 29.52?(8)°. The nitro and two meth-oxy substituents are almost coplanar with their respective benzene rings. The crystal structure is stabilized by inter-molecular C-H?O inter-actions.

| S-EPMC2959688 | 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