Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Benzyl-piperidin-4-one O-(2-bromo-benz-yl)oxime.

ABSTRACT: In the title mol-ecule, C(19)H(21)BrN(2)O, the piperidone ring adopts a chair conformation with a total puckering amplitude Q(T) of 0.554?(2)?Å. The dihedral angle between the benzene rings is 64.10?(7)°. There are no significant inter-molecular inter-actions.

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC3470391 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Benzyl-piperidin-4-one O-(2-bromo-benz-yl)oxime.

Moreno-Fuquen Rodolfo R Loaiza Alix E AE Diaz-Velandia John J Kennedy Alan R AR Morrison Catriona A CA

Acta crystallographica. Section E, Structure reports online 20120929 Pt 10

In the title mol-ecule, C(19)H(21)BrN(2)O, the piperidone ring adopts a chair conformation with a total puckering amplitude Q(T) of 0.554 (2) Å. The dihedral angle between the benzene rings is 64.10 (7)°. There are no significant inter-molecular inter-actions. ...[more]

PMID: 23125804

Similar Datasets

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

t-3-Benzyl-r-2,c-6-bis-(4-methoxy-phen-yl)piperidin-4-one oxime.

Project description:In the title mol-ecule, C(26)H(28)N(2)O(3), the piperidine ring adopts a chair conformation. The two methoxy-phenyl groups attached to the piperidine ring at positions 2 and 6 have equatorial orientations, and make a dihedral angle of 80.72?(15)°. The benzyl group at position 3 has an equatorial orientation. The oxime group at position 4 has a bi-sectional orientation. The ring of the benzyl group makes dihedral angles of 64.71?(16) and 84.79?(17)° with the two benzene rings. Mol-ecules are linked by inter-molecular N-H?O, O-H?N and C-H?O hydrogen bonds, and C-H?? inter-actions. There is also a C-H?O intra-molecular inter-action.

| S-EPMC2961741 | 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

1-(2-Bromo-benz-yl)-3-isopropyl-benz-imid-azolin-2-one.

Project description:In the structure of the title compound, C(17)H(17)BrN(2)O, the central phenyl and imidazol-2-one rings are coplanar (dihedral angle between planes of 0.73?(11)°). The angles subtended by the substituents on the N atoms of the imidazol-2-one ring range from 109.71?(14)° to 128.53?(15) due to steric hindrance of these substituents with the phenyl H atoms. The carbonyl O and Br both make two weak C-H?O and C-H?Br inter-actions with two adjacent mol-ecules, thus forming an three-dimensional array.

| S-EPMC2971215 | biostudies-literature

3-(3-Bromo-benz-yl)isoquinolin-1(2H)-one.

Project description:In the title compound, C(16)H(12)BrNO, the ring systems subtend an inter-planar dihedral angle of 75.95?(3)°. In the crystal packing, mol-ecules are linked to form centrosymmetric pairs by pairs of classical N-H?O hydrogen bonds.

| S-EPMC2980169 | biostudies-literature

3-(3-Bromo-benz-yl)-1H-isochromen-1-one.

Project description:In the title compound, C(16)H(11)BrO(2), the isocoumarin ring system is planar (r.m.s. deviation = 0.015?Å) and subtends a dihedral angle of 88.90?(2)° with the bromo-benzene ring. In the crystal, mol-ecules are linked, forming a three-dimensional packing pattern involving C-H?O inter-actions, Br?O contacts [3.4734?(10)?Å] and ?-? stacking inter-actions with centroid-centroid distances ranging from 3.667?(2) to 3.765?(2)?Å.

| S-EPMC2970208 | biostudies-literature

3-Hy-droxy-1-(4-meth-oxy-benz-yl)piperidin-2-one.

Project description:The title compound, C13H17NO3, adopts a conformation in which the aromatic ring and the mean plane of the piperidine ring are almost perpendicular to each other [dihedral angle = 79.25?(6)°]. The presence of the carbonyl group alters the conformation of the piperidine ring from a chair to a twisted half-chair conformation. In the crystal, pairs of strong O-H?O hydrogen bonds link the mol-ecules into inversion dimers. Weak C-H?O inter-actions extend the hydrogen-bonding network into three dimensions.

| S-EPMC3588348 | 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

1-[2,4,6-Trimethyl-3,5-bis-(4-oxopiperidin-1-ylmeth-yl)benz-yl]piperidin-4-one.

Project description:In the structure of the title compound, C(27)H(39)N(3)O(3), each of the (4-oxopiperidin-1-yl)methyl residues adopts a flattened chair conformation (with the N and carbonyl groups being oriented to either side of the central C(4) plane) and they occupy positions approximately orthogonal to the central benzene ring [C(benzene)-C-C(methyl-ene)-N torsion angles 103.4?(2), -104.4?(3) and 71.9?(3)°]; further, two of these residues are oriented to one side of the central benzene ring with the third to the other side. In the crystal packing, supra-molecular layers in the ab plane are sustained by C-H?O inter-actions.

| S-EPMC2979355 | biostudies-literature

3,3-Bis(4-bromo-phenyl-sulfan-yl)-1-methyl-piperidin-2-one.

Project description:In the title compound, C18H17Br2NOS2, the conformation of the piperidin-2-one ring is based on a half-chair with the methyl-ene C atom diagonally opposite the N atom being 0.649?(3)?Å above the plane of the remaining five atoms (r.m.s. deviation = 0.1205?Å). The S atoms occupy axial and bis-ectional positions, and the dihedral angle between the benzene rings of 59.95?(11)° indicates a splayed disposition. Helical supra-molecular chains along the b axis sustained by C-H?O inter-actions is the major feature of the crystal packing. The chains are connected into a three-dimensional architecture by C-H?Br and C-H?? inter-actions.

| S-EPMC3629608 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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