Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

R-2,c-6-Bis(2-methoxy-phen-yl)-t-3,t-5-dimethyl-piperidin-4-one acetic acid solvate.

ABSTRACT: In the title compound, C(21)H(25)NO(3)·C(2)H(4)O(2), the piperidone ring adopts a chair conformation. The two meth-oxy groups are nearly coplanar with the aromatic rings to which they are attached. The dihedral angle between the two aromatic rings is 60.9?(2)°. There are two short intra-molecular N-H?O contacts. The crystal packing is stabilized by inter-molecular O-H?N and C-H?O inter-actions.

SUBMITTER: Aridoss G

PROVIDER: S-EPMC2979382 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

r-2,c-6-Bis(2-methoxy-phen-yl)-t-3,t-5-dimethyl-piperidin-4-one acetic acid solvate.

Aridoss G G Sundaramoorthy S S Velmurugan D D Park K S KS Jeong Y T YT

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6

In the title compound, C(21)H(25)NO(3)·C(2)H(4)O(2), the piperidone ring adopts a chair conformation. The two meth-oxy groups are nearly coplanar with the aromatic rings to which they are attached. The dihedral angle between the two aromatic rings is 60.9 (2)°. There are two short intra-molecular N-H⋯O contacts. The crystal packing is stabilized by inter-molecular O-H⋯N and C-H⋯O inter-actions. ...[more]

PMID: 21579504

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⋯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

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

r-2,c-6-Bis(3-methoxy-phen-yl)-t-3,t-5-dimethyl-piperidin-4-one.

Project description:In the title compound, C(21)H(25)NO(3), the piperidinone ring adopts a chair conformation with an equatorial orientation of all substituents; the 3-methoxy-phenyl groups make a dihedral angle of 60.26 (15)°. The carbonyl group O atom is disordered over two positions in a 0.643 (3):0.357 (3) ratio. The crystal structure is stabilized by N-H⋯O and C-H⋯O hydrogen bonding.

| S-EPMC2962197 | biostudies-literature

r-2,c-6-Bis(4-methoxy-phen-yl)-c-3,t-3-dimethyl-piperidin-4-one.

Project description:The asymmetric unit of the title compound, C(21)H(25)NO(3), contains two crystallographically independent mol-ecules (A and B). In both mol-ecules, the piperidine ring adopts a chair conformation, with the methoxy-phenyl rings attached equatorially. The dihedral angle between the two benzene rings in mol-ecule A is 73.79 (8)°; the corresponding value in mol-ecule B is 77.71 (8)°. The mol-ecules are linked by N-H⋯O hydrogen bonds. In addition, C-H⋯π inter-actions are also found in the crystal structure.

| S-EPMC2959826 | biostudies-literature

1-Formyl-r-2,c-6-bis-(4-methoxy-phen-yl)-t-3,t-5-dimethyl-piperidin-4-one.

Project description:In the title compound, C(22)H(25)NO(4), the piperidine ring adopts a distorted boat conformation. The methyl groups at the 3 and 5 positions of the piperidine ring are in axial and equatorial orientations, respectively. Both H and O atoms in the aldehyde group are disordered over two positions with occupancies of 0.534?(5) and 0.466?(5). In the crystal, the mol-ecules are linked into a three-dimensional network by C-H?O hydrogen bonds.

| S-EPMC2971115 | biostudies-literature

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

Project description:In the title compound, C(22)H(25)NO(4), the piperidine ring adopts a distorted boat conformation. The two benzene rings are approximately perpendicular to each other, making a dihedral angle of 86.2 (8)°. The crystal packing is stabilized by C-H⋯O and C-H⋯π inter-actions.

| S-EPMC2968915 | 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-Dichloro-acetyl-r-2,c-6-bis-(4-methoxy-phen-yl)-t-3,t-5-dimethyl-piperidin-4-one.

Project description:In the title compound, C(23)H(25)Cl(2)NO(4), the piperidine ring adopts a distorted boat conformation. The dihedral angle between the benzene rings is 54.8 (1)°. In the crystal, the mol-ecules are linked into a two-dimensional network parallel to the ab plane by C-H⋯O hydrogen bonds.

| S-EPMC2979939 | biostudies-literature

1-Dichloro-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(25)Cl(2)NO(4), the piperidine ring adopts a distorted boat conformation. Inversion-related mol-ecules are linked into centrosymmetric R(2) (2)(16) dimers by paired C-H⋯O hydrogen bonds, and the dimers are connected via C-H⋯O hydrogen bonds into a chain running along [101].

| S-EPMC2967932 | 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