Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the crystal structure of the title compound, C(22)H(21)Cl(2)NO(2), the piperidinone ring is in a boat conformation.

SUBMITTER: Lakshminarayana BN

PROVIDER: S-EPMC2977691 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Lakshminarayana B N BN Shashidhara Prasad J J Gnanendra C R CR Sridhar M A MA Naik Nagaraja N

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

In the crystal structure of the title compound, C(22)H(21)Cl(2)NO(2), the piperidinone ring is in a boat conformation. ...[more]

PMID: 21583827

Similar Datasets

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

Project description:In the title compound, C(21)H(20)Cl(3)NO(2), the piperidin-4-one ring adopts a boat conformation. The two 2-chloro-phenyl groups are approximately perpendicular to each other, making a dihedral angle of 74.07 (8)°.

| S-EPMC3007827 | 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

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

Project description:The piperidone ring in the title compound, C(23)H(26)ClNO(4), adopts a boat conformation with its two out-of-plane C atoms deviating by 0.597 (2) and 0.630 (2) Å from the least-squares plane of the rest of atoms in the ring. The two aromatic rings are roughly perpendicular to each other, making a dihedral angle of 75.1 (1)°, and a C-H⋯π intra-molecular inter-action is observed. The crystal packing is stabilized by a C-H⋯O inter-molecular inter-action, generating a chain with a C(9) motif along the a axis.

| S-EPMC2970045 | biostudies-literature

1-Bromo-acetyl-2,6-bis-(4-methoxy-phen-yl)-3,5-dimethyl-piperidin-4-one.

Project description:In the title compound, C(23)H(26)BrNO(4), the piperidinone ring adopts a boat conformation. The dihedral angle between the two benzene rings is 70.9 (1)°. The two meth-oxy groups are close to coplanar with the attached benzene rings [C-C-O-C torsion angles of 6.3 (5) and 16.4 (4)°]. A weak C-H⋯Br intra-molecular inter-action is observed. In the crystal structure, mol-ecules are linked into a chain along [101] by inter-molecular C-H⋯O hydrogen bonds. A short inter-molecular Br⋯O contact [3.063 (2) Å] is observed.

| S-EPMC2959452 | biostudies-literature

1-Chloro-acetyl-2,6-bis-(3-fluoro-phen-yl)piperidin-4-one.

Project description:In the title compound C(19)H(16)ClF(2)NO(2), the piperidone ring adopts a twist-boat conformation with the two out-of-plane atoms deviating by 0.544?(1) and 0.511?(1)?Å from the plane through the remaining atoms in the ring. Sterically favoured non-H-atom C?O inter-molecular contacts are observed in the structure, within a 3.00?Å range. The crystal packing is stabilized by C-H?O and C-H?F hydrogen bonds and an inter-molecular ?-? inter-action [centroid-centroid separation of 3.783?(1)?Å]. Alternating C-H?O and C-H?F inter-molecular inter-actions generate chains running along the a axis, while a centrosymmetric R(2) (2)(16) ring involving C-H?O inter-actions is formed centred at (1/2, 1/2, 0).

| S-EPMC2977122 | biostudies-literature

(3E,5E)-1-Acryloyl-3,5-bis-(2-chloro-benzyl-idene)piperidin-4-one.

Project description:In the title compound, C(22)H(17)Cl(2)NO(2), the asymmetric unit consists of two crystallographically independent mol-ecules and each piperidinone ring adopts an envelope conformation. The dihedral angles between the two chloro-benzene rings are 24.81?(10) and 19.15?(8)° in the two mol-ecules. In the crystal, mol-ecules are connected via weak inter-molecular C-H?O hydrogen bonds forming layers perpendicular to the a axis.

| S-EPMC3089119 | biostudies-literature

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

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

Project description: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.

| S-EPMC3275265 | 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

3,5-Bis[1-acetyl-5-(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-pyridine.

Project description:The title compound, C(29)H(27)Cl(2)N(5)O(2), contains a central pyridine ring and two functionalized pyrazoline rings. The pyridine ring and the two attached pyrazoline rings are nearly coplanar, whereas the terminal chloro-phenyl rings are nearly perpendicular to the attached pyrazoline rings [dihedral angles = 86.78?(1) and 77.70?(1)°]. Mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonding.

| S-EPMC2960675 | 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