Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Chloro-acetyl-r-2,c-6-bis-(4-methoxy-phen-yl)-t-3-methyl-piperidin-4-one.

ABSTRACT: There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(22)H(24)ClNO(4). The piperidine ring in both mol-ecules adopts a distorted boat conformation. The crystal packing is stabilized by C-H?O and C-H?Cl inter-actions.

SUBMITTER: Ravichandran K

PROVIDER: S-EPMC2971376 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Chloro-acetyl-r-2,c-6-bis-(4-methoxy-phen-yl)-t-3-methyl-piperidin-4-one.

Ravichandran K K Ramesh P P Sakthivel P P Ponnuswamy S S Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20091028 Pt 11

There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(22)H(24)ClNO(4). The piperidine ring in both mol-ecules adopts a distorted boat conformation. The crystal packing is stabilized by C-H⋯O and C-H⋯Cl inter-actions. ...[more]

PMID: 21578468

Similar Datasets

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?? 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

2,6-Bis(3-methoxy-phen-yl)-3-methyl-piperidin-4-one.

Project description:In the mol-ecule of the title compound, C(20)H(23)NO(3), the bulky methoxy-phenyl substituents at the equatorial 2,6-positions crowd the vicinity of the equatorial amino H atom and prevent it from forming inter-molecular hydrogen bonds. The piperidine ring adopts a distorted chair conformation.

| S-EPMC2972106 | 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

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-Dichloro-acetyl-r-2,c-6-bis-(4-methoxy-phen-yl)-t-3-methyl-piperidin-4-one.

Project description:In the title compound, C(22)H(23)Cl(2)NO(4), the piperidine ring adopts a distorted boat conformation. The meth-oxy groups lie in the plane of the benzene rings to which they are attached. The benzene rings are oriented at angles of 84.3 (1) and 76.8 (1)° with respect to the best plane through the piperidine ring. The crystal packing is stabilized by intermolecular C-H⋯O inter-actions.

| S-EPMC2979921 | 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

3,3-Bis[(4-chloro-phen-yl)sulfan-yl]-1-methyl-piperidin-2-one.

Project description:The piperidone ring in the title compound, C(18)H(17)Cl(2)NOS(2), has a distorted half-chair conformation. The S-bound benzene rings are approximately perpendicular to and splayed out of the mean plane through the piperidone ring [dihedral angles = 71.86?(13) and 46.94?(11)°]. In the crystal, C-H?O inter-actions link the mol-ecules into [010] supra-molecular chains with a helical topology. C-H?Cl and C-H?? inter-actions are also present.

| S-EPMC3007065 | 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-r-2,c-6-bis-(4-methoxy-phen-yl)-c-3,t-3-dimethyl-piperidin-4-one.

Project description:In the title compound, C(23)H(26)ClNO(4), the piperidine ring adopts a distorted boat conformation. The two methoxy-phenyl groups at the 2 and 6 positions of the piperidine ring are in axial and equatorial orientations. An intra-molecular C-H?Cl inter-action is observed. In the crystal, the mol-ecules are linked into zigzag chains along the b axis by C-H?? inter-molecular inter-actions.

| S-EPMC2971163 | biostudies-literature

1-Acetyl-t-3-ethyl-r-2,c-6-bis-(4-methoxy-phen-yl)piperidin-4-one.

Project description:In the title compound, C(23)H(27)NO(4), the piperidine ring adopts a distorted boat conformation. The meth-oxy groups lie in the plane of benzene rings to which they are attached [maximum deviations of 0.014 (3) and 0.007 (3) Å]. The benzene rings are oriented at angles of 67.2 (1) and 87.0 (1)° with respect to the best plane through the four co-planar atoms of the piperidine ring.

| S-EPMC2979765 | 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