Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-3-Isopropyl-1-methyl-2,6-di-phenyl-piperidin-4-one O-nicotinoyl oxime.

ABSTRACT: In the title compound, C27H29N3O2, the piperidine ring exists in a chair conformation with an equatorial orientation of the phenyl and methyl substituents. The C-C=N bond angles are significantly different [119.1?(2) and 127.2?(2)°]. The phenyl rings are inclined to one another by 44.90?(14)°, and by 80.85?(13) and 79.62?(12)° to the mean plane of the piperidine ring. The terminal pyridine ring is inclined to the piperidine ring mean plane by 74.79?(15)°. In the crystal, mol-ecules are linked by C-H?? inter-actions, forming a three-dimensional network.

SUBMITTER: Vinuchakkaravarthy T

PROVIDER: S-EPMC4011261 | biostudies-other | 2014 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-3-Isopropyl-1-methyl-2,6-di-phenyl-piperidin-4-one O-nicotinoyl oxime.

Vinuchakkaravarthy T T Sivakumar R R Srinivasan T T Thanikachalam V V Velmurugan D D

Acta crystallographica. Section E, Structure reports online 20140412 Pt 5

In the title compound, C27H29N3O2, the piperidine ring exists in a chair conformation with an equatorial orientation of the phenyl and methyl substituents. The C-C=N bond angles are significantly different [119.1 (2) and 127.2 (2)°]. The phenyl rings are inclined to one another by 44.90 (14)°, and by 80.85 (13) and 79.62 (12)° to the mean plane of the piperidine ring. The terminal pyridine ring is inclined to the piperidine ring mean plane by 74.79 (15)°. In the crystal, mol-ecules are linked by ...[more]

PMID: 24860359

Similar Datasets

(E)-3-Methyl-2,6-di-phenyl-piperidin-4-one O-(3-methyl-benzo-yl)oxime.

Project description:In the title compound, C26H26N2O2, the piperidine ring exhibits a chair conformation. The phenyl rings are attached to the central heterocycle in an equatorial position. The dihedral angle between the planes of the phenyl rings is 57.58?(8)°. In the crystal, C-H?O inter-actions connect the mol-ecules into zigzag chains along [001].

| S-EPMC4158521 | biostudies-literature

(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

Crystal structures of (E)-(3-ethyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene)amino phenyl carbonate and (E)-(3-isopropyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene)amino phenyl carbonate.

Project description:In the title compounds, C27H28N2O3, (I), and C28H30N2O3, (II), the conformation about the C=N bond is E. The piperidine rings adopt chair conformations with the attached phenyl rings almost normal to their mean planes, the dihedral angles being 85.82?(8) and 85.84?(7)° in (I), and 87.98?(12) and 86.42?(13)° in (II). The phenyl rings are inclined to one another by 52.87?(8)° in (I) and by 60.51?(14)° in (II). The main difference in the conformation of the two compounds is the angle of inclination of the phen-oxy-carbonyl ring to the piperidine ring mean plane. In (I), these two planes are almost coplanar, with a dihedral angle of 2.05?(8)°, while in (II), this angle is 45.24?(13)°. In the crystal of (I), mol-ecules are linked by C-H?O hydrogen bonds, forming inversion dimers with R 2 (2)(14) loops. The dimers are linked via C-H?? inter-actions forming a three-dimensional network. In the crystal of (II), there are no significant inter-molecular inter-actions present.

| S-EPMC4257207 | biostudies-literature

3-Isopropyl-1-{2-[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]acet-yl}-2,6-di-phenyl-piperidin-4-one hemihydrate.

Project description:In the title compound, C24H27N5O2S·0.5H2O, the piperidine ring adopts a distorted boat conformation. The phenyl rings subtend dihedral angles of 69.7?(1) and 88.7?(1)° with the best plane through the piperidine moiety. In the crystal, symmetry-related mol-ecules are linked through a network of C-H?O and C-H?N inter-actions, the former connecting them into zigzag chains along the c-axis direction and the latter forming an R (2) 2(4)motif. The dimer formation (C-H?N) and the repetition of symmetry-related molecules (C-H?O) along the b-axis direction stabilize the packing mode. The water mol-ecule is located on a twofold rotation axis.

| S-EPMC3884276 | biostudies-literature

1-(2,2-Di-chloro-acet-yl)-3-ethyl-2,6-di-phenyl-piperidin-4-one.

Project description:The asymmetric unit of the title compound, C21H21Cl2NO2, contains two independent mol-ecules that show similar geometrical features. The piperidine ring adopts a distorted boat conformation. The phenyl rings substituted at the 2- and 6-positions of the piperidine ring are oriented at angles of 65.4 (1) [64.7 (2)°] and 89.2 (1)° [86.3 (2)°] with respect to the least-squares plane of the piperidine ring. In the crystal, adjacent mol-ecules are linked by a network of C-H⋯O inter-actions, forming a C(6) chain along the c-axis direction.

| S-EPMC3648321 | biostudies-literature

1-Di-chloro-acetyl-t-3-isopropyl-r-2,c-6-di-phenyl-piperidin-4-one.

Project description:In the title compound, C22H23Cl2NO2, the piperidine ring adopts a twist-boat conformation. The phenyl rings substituted at the 2- and 6-positions of the piperidine ring subtend dihedral angles of 60.6 (2) and 84.2 (1)°, respectively, with the mean plane of the piperidine ring. In the crystal, mol-ecules are linked by C-H⋯O inter-actions into zigzag chains running along the c-axis direction.

| S-EPMC3793827 | biostudies-literature

[(4E)-3-Ethyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene]amino 3-methyl-benzoate.

Project description:In the title compound, C28H30N2O2, the piperidine ring exists in a chair conformation with an equatorial orientation of the phenyl rings and methyl group substituted on the heterocycle. In the crystal, C-H?? inter-actions result in chains of mol-ecules running parallel to the a-axis direction.

| S-EPMC3790411 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 3-(hy-droxy-meth-yl)-3-methyl-2,6-di-phenyl-piperidin-4-one.

Project description:A new synthesis of the title compound, C19H21NO2, was developed with good yield and purity using the reaction of 4-hy-droxy-3-methyl-2-butanone, benzaldehyde and ammonium acetate in glacial acetic acid as a solvent. The central piperidine ring adopts a chair conformation, and its least-squares basal plane forms dihedral angles of 85.71 (11) and 77.27 (11)° with the terminal aromatic rings. In the crystal, the mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds into double ribbons. The Hirshfeld surface analysis shows that the most important contributions are from H⋯H (68%), C⋯H/H⋯C (19%) and O⋯H/H⋯O (12%) inter-actions.

| S-EPMC8739193 | biostudies-literature

Crystal structure of 2-chloro-1-(3-methyl-2,6-di-phenyl-piperidin-1-yl)ethanone.

Project description:In the title compound, C20H22ClNO, the piperidine ring has a twist-boat conformation. There is an intra-molecular C-H⋯π inter-action involving the two phenyl rings which are inclined to one another by 84.91 (7)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming helical chains along [010]. The chains are linked by C-H⋯π inter-actions, forming sheets parallel to (100).

| S-EPMC4384538 | 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

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