Browse
Submit Data
Databases
API
Help
Login

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2,6-Difluoro-phen-yl)(4-methyl-piperidin-1-yl)methanone.

ABSTRACT: In the title compound, C(13)H(15)F(2)NO, the piperidine ring adopts a chair conformation. The dihedral angle between the least-squares plane of the piperidine ring and the benzene ring is 48.75?(7)°. In the crystal structure, the mol-ecules are connected via C-H?O hydrogen bonds, forming a zigzag chain along the b axis.

SUBMITTER: Al-Dajani MT

PROVIDER: S-EPMC3200831 | BioStudies | 2011-01-01T00:00:00Z

REPOSITORIES: biostudies

ACCESS DATA

Json Xml

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].

1000-01-01 | S-EPMC4158521 | BioStudies

(Anthracen-9-yl)(piperidin-1-yl)-methanone.

Project description:The title compound, C(20)H(19)NO, is a substructure of CP-640186, a potent inhibitor of mammalian acetyl-coenzyme A carboxyl-ases. In the crystal structure, the amide group forms a dihedral angle of 87.0?(1)° with the plane of the anthracene unit and the piperidine ring adopts a chair conformation. Mol-ecules are arranged into layers parallel to (100) and adjacent anthracene units within layers form dihedral angles of 13.2?(1)°. C-H?O inter-actions from the piperidine rings to the C=O group of the amide are observed between layers.

1000-01-01 | S-EPMC2959661 | BioStudies

N-[(Piperidin-1-yl)carbothioyl]benz-amide.

Project description:In the title compound, C(13)H(16)N(2)OS, the piperidine ring exhibit a classical chair conformation. In the crystal, the mol-ecules are linked by N-H?O hydrogen bonds, forming zigzag chains running parallel to the c axis.

1000-01-01 | S-EPMC3009313 | BioStudies

(2-Chloro-3,5-dinitro-phen-yl)(piperidin-1-yl)methanone.

Project description:In the title compound, C(12)H(12)ClN(3)O(5), the piperidine ring adopts a chair conformation. One of the nitro groups is almost coplanar with the aromatic ring [O-N-C-C = -1.4?(2)°], whereas the other one is significantly twisted out of the ring plane [O-N-C-C = 34.7?(2)°]. The crystal packing is stabilized by inter-molecular ?-? stacking inter-actions with centroid-centroid distances of 3.579?(3)?Å.

1000-01-01 | S-EPMC3089352 | BioStudies

Crystal structure of (4-chloro-phen-yl)(4-methyl-piperidin-1-yl)methanone.

Project description:The title compound, C13H16ClNO, contains a methyl-piperidine ring in the stable chair conformation. The mean plane of the twisted piperidine ring subtends a dihedral angle of 39.89?(7)° with that of the benzene ring. In the crystal, weak C-H?O inter-actions link the mol-ecules along the a-axis direction to form infinite mol-ecular chains. H?H inter-atomic inter-actions, C-H?O inter-molecular inter-actions and weak dispersive forces stabilize mol-ecular packing and form a supra-molecular network, as established by Hirshfeld surface analysis.

2020-01-01 | S-EPMC7133048 | BioStudies

2-Chloro-1-(3,3-dimethyl-2,6-di-phenyl-piperidin-1-yl)ethanone.

Project description:In the title compound, C21H24ClNO, the piperidine ring adopts a chair conformation. The two phenyl rings are inclined to one another by 20.7?(1)°, and are inclined to the mean plane of the four planar atoms of the piperidine ring by 87.64?(10) and 70.8?(1)°. The mol-ecular structure features short intra-molecular C-H?Cl and C-H?O contacts. In the crystal, there are no significant inter-molecular inter-actions present.

2013-01-01 | S-EPMC3884441 | BioStudies

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.

1000-01-01 | S-EPMC2972106 | BioStudies

(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.

1000-01-01 | S-EPMC4051028 | BioStudies

4-(2-Methyl-piperidin-1-ylcarbon-yl)pyridinium hexachloridoantimonate(V).

Project description:In the hexa-chlorido-animonate anion of the title compound, (C(12)H(17)N(2)O)[SbCl(6)], the Sb(5+)ion is in a slightly distorted octa-hedral coordination. In the 4-(2-methyl-piperidine-1-carbon-yl) pyridinium cation, the dihedral angle between the mean planes of the pyridine and piperzine rings is 66.3?(3)°. The mean plane of the carbonyl group is twisted by 80.5?(7)° and 42.7?(4)° relative to the mean planes of the pyridine and piperzine rings, respectively. The methyl group is in an R configuration relative to the piperidine ring which is in a slightly distorted chair conformation. The crystal packing is stabilized by N-H?O hydrogen bonds between cations, which form infinite zigzag chains parallel to [010].

1000-01-01 | S-EPMC2970264 | BioStudies

Methyl ({[(4E)-1,3-dimethyl-2,6-di-phenyl-piperidin-4-yl-idene]amino}-oxy)acetate.

Project description:In the title compound, C22H26N2O3, the piperidine ring exhibits a chair conformation. The phenyl rings attached to the piperidine at the 2- and 6-positions have axial orientations. These rings make a dihedral angle of 49.75?(11)°. The amino-oxy acetate group attached at the 4-position has an equatorial orientation. In the crystal, inversion dimers linked by pairs of C-H?? inter-actions occur.

1000-01-01 | S-EPMC4011218 | BioStudies

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