Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Bis(4-meth-oxy-phen-yl)-1,3-dimethyl-piperidin-4-one O-benzyl-oxime.

ABSTRACT: The central ring of the title compound, C(28)H(32)N(2)O(3), exists in a chair conformation with an equatorial disposition of all the alkyl and aryl groups on the heterocycle. The para-anisyl groups on both sides of the secondary amino group are oriented at an angle of 54.75?(4)° with respect to each other. The oxime derivative exists as an E isomer with the methyl substitution on one of the active methyl-ene centers of the mol-ecule. The crystal packing features weak C-H?O inter-actions.

SUBMITTER: Park DH

PROVIDER: S-EPMC3275265 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,6-Bis(4-meth-oxy-phen-yl)-1,3-dimethyl-piperidin-4-one O-benzyl-oxime.

Park Dong Ho DH Ramkumar V V Parthiban P P

Acta crystallographica. Section E, Structure reports online 20120125 Pt 2

The central ring of the title compound, C(28)H(32)N(2)O(3), exists in a chair conformation with an equatorial disposition of all the alkyl and aryl groups on the heterocycle. The para-anisyl groups on both sides of the secondary amino group are oriented at an angle of 54.75 (4)° with respect to each other. The oxime derivative exists as an E isomer with the methyl substitution on one of the active methyl-ene centers of the mol-ecule. The crystal packing features weak C-H⋯O inter-actions. ...[more]

PMID: 22347121

Similar Datasets

2,6-Bis(4-chloro-phen-yl)-1,3-dimethyl-piperidin-4-one O-benzyl-oxime.

Project description:The piperidin-4-one ring in the title compound, C(26)H(26)Cl(2)N(2)O, exists in a chair conformation with equatorial orientations of the methyl and 4-chlorophenyl groups. The C atom bonded to the oxime group is statistically planar (bond-angle sum = 360.0°) although the C-C=N bond angles are very different [117.83?(15) and 127.59?(15)°]. The dihedral angle between the chloro-phenyl rings is 54.75?(4)°. In the crystal, mol-ecules inter-act via van der Waals forces.

| S-EPMC3275266 | biostudies-other

(E)-1,3-Dimethyl-2,6-di-phenyl-piperidin-4-one O-(phen-oxy-carbon-yl)oxime.

Project description:The title piperidine derivative, C26H26N2O3, has an E conformation about the N=C bond. The piperidine ring has a chair conformation and its mean plane is almost perpendicular to the attached phenyl rings, making dihedral angles of 87.47?(9) and 87.34?(8)°. The planes of these two phenyl rings are inclined to one another by 60.38?(9)°. The plane of the terminal phenyl ring is tilted at an angle of 32.79?(9)° to the mean plane of the piperidine ring. The mol-ecular conformation is stabilized by two intra-molecular C-H?O contacts. There are no significant inter-molecular inter-actions in the crystal.

| S-EPMC4051028 | biostudies-literature

(4E)-N-[(2-Bromo-phen-yl)meth-oxy]-1,3-dimethyl-2,6-diphenyl-piperidin-4-imine.

Project description:In the title compound, C(26)H(27)BrN(2)O, the piperidine ring has a chair conformation and all ring substituents occupy equatorial positions, apart from the double-bonded N atom, which occupies a bis-ectional position. The dihedral angle formed between the phenyl rings is 61.18?(19)°, and the phenyl rings form dihedral angles of 49.78?(19) and 69.2?(18)° with the bromo-benzene ring. The latter is coplanar with the meth-oxy(methyl-idene)amine fragment [N-O-C-C torsion angle = -171.7?(2)°]. Linear supra-molecular chains, approximately along [112], sustained by C-H?? inter-actions, feature in the crystal packing.

| S-EPMC3394050 | biostudies-literature

(4E)-N-[(2-Chloro-phen-yl)meth-oxy]-1,3-dimethyl-2,6-diphenyl-piperidin-4-imine.

Project description:In the title compound, C(26)H(27)ClN(2)O, the piperidine ring has a chair conformation and all of the ring substituents at Csp(3) atoms occupy equatorial positions. The dihedral angle formed between the phenyl rings is 48.11?(9)°. The chloro-benzene ring occupies a position orthogonal to the meth-oxy(methyl-idene)amine residue [N-O-C-C torsion angle = -87.90?(15)°]. The conformation about the imine C=N bond [1.278?(2)?Å] is E, and the chloro substituent is anti to the piperidine N atom. Helical supra-molecular chains along [010] are sustained by C-H?? inter-actions in the crystal packing.

| S-EPMC3394051 | biostudies-literature

3-Isopropyl-2,6-bis-(4-meth-oxy-phen-yl)-piperidin-4-one.

Project description:In the title compound, C(22)H(27)NO(3), the piperidine ring adopts a slightly distorted chair conformation. The dihedral angle between the two aromatic rings is 60.4?(1)°. In the crystal, the amino group forms a rather long N-H?O contact to a methoxy O atom. There are also C-H?O interactions present.

| S-EPMC3414364 | biostudies-literature

1-Chloro-acetyl-2,6-bis-(2-chloro-phen-yl)-3,5-dimethyl-piperidin-4-one oxime.

Project description:In the title compound, C(21)H(21)Cl(3)N(2)O(2), the piperidine ring adopts a distorted boat conformation. One of the chloro-phenyl rings is almost perpendicular to the best plane through piperidine ring, making a dihedral angle of 88.7?(1)°, whereas the other ring is twisted by 71.8?(1)°. The crystal packing is stabilized by inter-molecular C-H?O, C-H?Cl and O-H?O inter-actions.

| S-EPMC2979383 | biostudies-literature

N-(4-Meth-oxy-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

Project description:In the title compound, C13H19NO3, the dioxane ring adopts a chair conformation. Its mean plane is inclined to the 4-meth-oxy-phenyl ring by 70.34?(9)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers with an R (2) 2(16) ring motif. The dimers are linked via C-H?? inter-actions, forming two-dimensional networks lying parallel to the ac plane.

| S-EPMC3884457 | biostudies-literature

Crystal structure of 2,6-bis-(2,5-di-meth-oxy-phen-yl)-3,5-di-methyl-piperidin-4-one.

Project description:In the title mol-ecule, C23H29NO5, the central piperidine ring has a chair conformation. The planes of the two benzene rings are inclined each to other at 61.7?(1)°. The crystal packing exhibits no directional inter-actions only van der Waals contacts.

| S-EPMC4257243 | biostudies-literature

(4Z,6Z)-4,6-Bis(4-meth-oxy-benzyl-idene)-2,2-dimethyl-1,3-dioxan-5-one.

Project description:The title compound, C(22)H(22)O(5), crystallizes with two independent mol-ecules in the asymmetric unit, both of which possess pseudo-C(s) symmetry. The central 1,3-dioxanone rings have envelope conformations, with the C atom bearing the two methyl groups at the flap. The benzene rings of the meth-oxy-benzyl-idene units, attached in the 4- and 6-positions on the central 1,3-dioxanone rings, are tilted in the same direction with dihedral angles varying between 8.2?(1) and 18.1?(1)°. The crystal packing is influenced by ?-stacking inter-actions of the parallel displaced type [centroid-centroid distance of 3.723?(1)?Å for mol-ecule 1 and 3.884?(1)?Å for mol-ecule 2, with ring slippages of 1.432 and 1.613?Å, respectively] and the T-shaped type, with the long mol-ecular axes all aligned along [010].

| S-EPMC3275038 | biostudies-literature

2,6-Bis(4-meth-oxy-phen-yl)-1,4-dithiine.

Project description:The title mol-ecule, C18H16O2S2, reveals crystallographic twofold rotation symmetry (with both S atoms lying on the axis) and one half-mol-ecule defines an asymmetric unit. The dithiine ring is in a boat conformation. The aromatic ring and the C=C bond are nearly coplanar, with small torsion angles of -171.26 (19) and 8.5 (3)°. The two S-C bond lengths [1.7391 (19) and 1.7795 (18) Å] are shorter than single C-S bonds and longer than analogous C=S double bonds, which indicates a certain degree of conjugation between the lone pair on the S atom and π electrons of the C=C bond. The crystal packing only features van der Waals inter-actions.

| S-EPMC3998302 | 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