Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(3E,5E)-3,5-Dibenzyl-idene-1-phenethyl-piperidin-4-one.

ABSTRACT: In the title compound, C(27)H(25)NO, the piperidine ring adopts an envelope conformation with the N atom at the flap position. The two benzylidene-benzene rings are oriented at a dihedral angle of 8.5?(1)°. In the crystal, the mol-ecules are linked into centrosymmetric dimers by pairs of inter-molecular C-H?O hydrogen bonds. The dimers are connected via C-H?? inter-actions involving the phenyl rings.

SUBMITTER: Ali MA

PROVIDER: S-EPMC3201386 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(3E,5E)-3,5-Dibenzyl-idene-1-phenethyl-piperidin-4-one.

Ali Mohamed Ashraf MA Choon Tan Soo TS Almansour Abdulrahman I AI Shahani Tara T Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title compound, C(27)H(25)NO, the piperidine ring adopts an envelope conformation with the N atom at the flap position. The two benzylidene-benzene rings are oriented at a dihedral angle of 8.5 (1)°. In the crystal, the mol-ecules are linked into centrosymmetric dimers by pairs of inter-molecular C-H⋯O hydrogen bonds. The dimers are connected via C-H⋯π inter-actions involving the phenyl rings. ...[more]

PMID: 22058753

Similar Datasets

(3E,5E)-3,5-Dibenzyl-idene-1-[3-(piperidin-1-yl)propano-yl]piperidin-4-one.

Project description:The asymmetric unit of the title compound, C(27)H(30)N(2)O(2), comprises two independent mol-ecules. The dihedral angles between the phenyl rings in the two mol-ecules are 55.59?(8) and 55.39?(8)°. The piperidine rings adopt chair conformations. The crystal structure is stabilized by weak inter-molecular C-H?O and C-H?N hydrogen bonds. The crystal studied was a non-merohedral twin with a domian ratio of 0.75?(2):0.25?(2).

| S-EPMC3120382 | 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

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

Project description:The title compound, C22H21Cl2NO, is a derivative of mono-carbonyl analogues of curcumin (MACs). The mol-ecule has an E conformation for each of the olefinic bonds. The 1-propyl-piperidin-4-one ring has a distorted chair conformation with the ring N and the C and O atoms of the carbonyl group deviating from the mean plane of the remaining four ring C atoms by 0.682?(2), -0.134?(3) and -0.340?(4)?Å, respectively. The dihedral angle between the benzene rings is 26.5?(1)°. In the crystal, mol-ecules are connected by weak C-H?O and C-H?? inter-actions.

| S-EPMC3588387 | biostudies-literature

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

Project description:The inversion-related mol-ecules of the title compound, C(26)H(21)F(2)NO, associate into closed dimeric subunits via co-operative C-H⋯π inter-actions. Two non-classical C-H⋯O and one C-H⋯N intra-molecular hydrogen bonds are also found in the crystal structure. The piperidin-4-one ring adopts a sofa conforamtion with the 1-benzyl group in the equatorial position, and the equiplanar fluoro-phenyl substituents in the 3- and 5-positions stretched out on either side. The 1-benzyl group is disposed towards the substituent in the 6th position of the piperidin-4-one ring. The 3,5-diene units possess E configurations.

| S-EPMC2970975 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(22)H(15)Cl(4)NO(2)·0.5H(2)O, consists of a (3E,5E)-1-acryloyl-3,5-bis-(2,4-dichloro-benzyl-idene)piperidin-4-one mol-ecule and a half-mol-ecule of water (the O atom of the water mol-ecule lies on a twofold axis). The piperidin-4-one ring adopts an envelope conformation. The dihedral angle between the two terminal benzene rings is 8.84?(11)°. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds forming supra-molecular chains along the c axis. Furthermore, adjacent chains are inter-connected by the water mol-ecules via O-H?O hydrogen bonds.

| S-EPMC3120482 | biostudies-literature

(3E,5E)-1-Allyl-3,5-bis(4-meth-oxy-benzyl-idene)-piperidin-4-one.

Project description:The piperidine ring in the title compound, C24H25NO3, adopts an envelope conformation with the N atom being the flap atom, and each C=C double bond exhibits an E conformation. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules, forming supramolecular layers that stack along the a axis.

| S-EPMC3770353 | biostudies-literature

(3E,5E)-1-Benzyl-3,5-dibenzyl-idenepiperidin-4-one.

Project description:In the title compound, C(26)H(23)NO, C-H?O hydrogen bonds generate a ribbon structure along the a axis. These ribbons further assemble into a one-dimensional sheet parallel to the ac plane via C-H?? inter-actions. The piperidin-4-one ring adopts a sofa conformation with the 1-benzyl group in the equatorial position, and the 3- and 5-phenyl substituents stretched out on either side. The benzyl-idene units adopt E configurations and the 1-benzyl group is disposed towards the 3- substituent of the piperidin-4-one ring.

| S-EPMC2971257 | biostudies-literature

(3E,5E)-3,5-Bis(4-methyl-benzyl-idene)-1-[3-(piperidin-1-yl)propano-yl]piperidin-4-one.

Project description:In the title compound, C(29)H(34)N(2)O(2), the central piperidine ring adopts a half-chair conformation, whereas the terminal one adopts a chair conformation. The mean plane of the central piperidine ring [maximum deviation = 0.384 (2) Å] makes dihedral angles of 64.82 (13) and 17.55 (13)° with the benzene rings. In the crystal, mol-ecules are linked into a tape along the b axis via C-H⋯O inter-actions, generating R(2) (2)(20) and R(2) (1)(6) graph-set motifs. C-H⋯π inter-actions are observed between the tapes.

| S-EPMC3414948 | biostudies-literature

(3E,5E)-3,5-Bis(naphthalen-1-yl-methyl-idene)piperidin-4-one.

Project description:In the title compound, C(27)H(21)NO, the piperidine ring adopts a chair conformation. The mean plane through the piperidine ring makes dihedral angles of 49.27?(5) and 63.07?(5)° with the naphthalene ring systems. In the crystal, mol-ecules are linked into dimers via pairs of inter-molecular C-H?O inter-actions, generating ten-membered R(2) (2)(10) ring motifs. C-H?? inter-actions further stabilize the crystal structure.

| S-EPMC3297868 | biostudies-other

(3E,5E)-3,5-Bis(4-allyl-oxybenzyl-idene)-1-benzyl-piperidin-4-one.

Project description:In the title compound C(32)H(31)NO(3), the all-yloxy groups on either side of the piperidin-4-one ring are conformationally disordered. The contribution of major and minor components of the allyloxy group at the 3rd position of the ring are 0.576?(4) and 0.424?(4), respectively, and those at the 5th position are 0.885?(3) and 0.115?(3), respectively. The six-membered piperidin-4-one ring adopts a sofa conformation with the benzyl group occupying an equatorial position and the olefinic double bonds possessing an E configuration. Flanking phenyl substituents are stretched out on either side of the six-membered ring. ?-? inter-actions with a centroid-centroid distance of 3.885?(1)?Å give rise to mol-ecular dimers and short C-H?? contacts lead to chains along the c axis.

| S-EPMC2971870 | biostudies-other

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