Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 2,6-bis-(4-chloro-phen-yl)-4-(4-methyl-anilino)-1-(4-methyl-phen-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

ABSTRACT: In the title mol-ecule, C34H32Cl2N2O2, the tetra-hydro-pyridine ring adopts a distorted boat conformation and both 4-chloro-phenyl substituents are in axial positions. An intra-molecular N-H?O hydrogen bond is formed by the amino group and carbonyl O atom. In the crystal, weak C-H?Cl inter-actions link the mol-ecules into chains along [010].

SUBMITTER: Anthal S

PROVIDER: S-EPMC3588410 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl 2,6-bis-(4-chloro-phen-yl)-4-(4-methyl-anilino)-1-(4-methyl-phen-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Anthal Sumati S Brahmachari Goutam G Das Suvankar S Kant Rajni R Gupta Vivek K VK

Acta crystallographica. Section E, Structure reports online 20130228 Pt 3

In the title mol-ecule, C34H32Cl2N2O2, the tetra-hydro-pyridine ring adopts a distorted boat conformation and both 4-chloro-phenyl substituents are in axial positions. An intra-molecular N-H⋯O hydrogen bond is formed by the amino group and carbonyl O atom. In the crystal, weak C-H⋯Cl inter-actions link the mol-ecules into chains along [010]. ...[more]

PMID: 23476622

Similar Datasets

Ethyl 4-anilino-2,6-bis-(4-fluoro-phen-yl)-1-phenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(32)H(28)F(2)N(2)O(2), the tetra-hydro-pyridine ring adopts a distorted boat conformation. The two fluoro-phenyl groups are attached to the tetra-hydro-pyridine ring in a trans orientation. The dihedral angle between the planes of the fluoro-substituted rings is 57.0 (1)°. The amino group and carbonyl O atom are involved in intra-molecular hydrogen bonding. In the crystal, weak C-H⋯O, C-H⋯F and C-H⋯π inter-actions link the mol-ecules into columns along [010].

| S-EPMC3569819 | biostudies-literature

Ethyl 4-anilino-2,6-bis-(4-chloro-phen-yl)-1-phenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:The title compound, C32H28Cl2N2O2, was synthesized by a multicomponent reaction of 4-chloro-benzaldehyde, aniline and ethyl aceto-acetate. The central 1,2,5,6-tetra-hydro-pyridine ring exhibits a distorted boat conformation and the two chloro-phenyl rings attached to the central ring at positions 2 and 6 are oriented in opposite directions. The two O atoms of the eth-oxy-carbonyl group are involved in intra-molecular N-H⋯O and C-H⋯O hydrogen bonds. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules related by translation along the b axis into chains.

| S-EPMC3685090 | biostudies-literature

Ethyl 2,6-bis-(4-chloro-phen-yl)-4-(4-fluoro-anilino)-1-(4-fluoro-phen-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C32H26Cl2F2N2O2, the tetra-hydro-pyridine ring adopts a distorted boat conformation. The chlorophenyl rings are inclined to one another by 55.2 (1)°, while for the fluorophenyl rings the dihedral angle is 80.7 (1)°. The amino group and carbonyl O atom are involved in an intra-molecular N-H⋯O hydrogen bond. In the crystal, weak C-H⋯O, C-H⋯F and C-H⋯Cl inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3629536 | biostudies-literature

Methyl 4-(4-fluoro-anilino)-1,2,6-tris-(4-fluoro-phen-yl)-1,2,5,6-tetra-hydro-pyri-dine-3-carboxyl-ate.

Project description:In the title mol-ecule, C31H24F4N2O2, the tetra-hydro-pyridine ring adopts a distorted boat conformation. An intra-molecular N-H?O hydrogen bond is formed by the amino group and ccarboxyl C=O atom. The crystal structure features weak C-H?F and C-H?O inter-actions.

| S-EPMC3588473 | biostudies-literature

Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolyl-amino)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(33)H(32)N(2)O(2), the tetra-hydro-pyridine ring adopts a boat conformation with the carbonyl group in an s-cis conformation with respect to the C=C bond of the six-membered tetra-hydro-pyridine ring. The mol-ecular conformation is stabilized by intra-molecular N-H?O, C-H?O and C-H?? inter-actions. Formation of centrosymmetric head-to-head dimers is observed through pairwise inter-molecular N-H?O hydrogen bonds. Additional weak C-H?O and C-H?? inter-actions stabilize the three-dimensional mol-ecular assembly.

| S-EPMC3414317 | biostudies-literature

Diethyl 4-(2-meth-oxy-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-carboxyl-ate.

Project description:In the title compound, C20H25NO5, the di-hydro-pyridine ring adopts a flattened boat conformation. The meth-oxy-phenyl ring is almost perpendicular to the mean plane of the pyridine ring [dihedral angle = 88.42?(3)°]. The two carbonyl units adopt a synperiplanar conformation with respect to the double bonds in the di-hydro-pyridine ring. In the crystal, mol-ecules are connected by N-H?O hydrogen bonds into R 4 (4)(24) tetra-meric rings. A region of disordered electron density, located at the center of four adjacent mol-ecules, was treated with the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. It is probably the result of traces of the solvent of crystallization and was not taken into account during the structure refinement.

| S-EPMC3648309 | biostudies-literature

Ethyl 4-hy-droxy-2,6-diphenyl-1-[2-(piperidin-1-yl)acet-yl]-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(27)H(32)N(2)O(4), the piperidine and tetra-hydro-pyridine rings adopt chair and half-chair conformations, respectively. The dihedral angle between the two phenyl rings is 32.9?(1)°. The mol-ecular structure is stabilized by a strong intra-molecular O-H?O hydrogen bond, generating an S(6) motif. In the crystal, inter-molecular C-H?O inter-actions form a ribbon-like structure along the a axis.

| S-EPMC3007457 | biostudies-literature

Ethyl 4-hy-droxy-2,6-diphenyl-1-(2-thio-morpholino-acet-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(26)H(30)N(2)O(4)S, the thio-morpholine ring adopts a chair conformation whereas the tetra-hydro-pyridine ring is in a half-chair conformation. The dihedral angle between the two phenyl rings is 33.3?(2)°. A strong intra-molecular O-H?O hydrogen bond generates an S(6) motif. In the crystal, mol-ecules are linked by inter-molecular C-H?O hydrogen bonds, generating a ribbon-like structure propagating along the a axis.

| S-EPMC3007352 | biostudies-literature

Ethyl 1-benzoyl-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(27)H(25)NO(4), the tetra-hydro-pyridine ring adopts a half-chair conformation. The three phenyl rings form dihedral angles of 66.33 (7), 87.36 (8) and 36.90 (7)° with the least-squares plane through the tetra-hydro-pyridine ring. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond, generating an S(6) motif.

| S-EPMC3052159 | biostudies-literature

Ethyl 1-[2-(1H-benzotriazol-1-yl)acet-yl]-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(28)H(26)N(4)O(4), the tetra-hydro-pyridine ring adopts a boat conformation. The two phenyl rings form dihedral angles of 88.64?(8) and 59.28?(10)° with the best plane through the tetra-hydro-pyridine ring. The dihedral angle between the two phenyl rings is 82.55?(10)°. The benzotriazole ring system is essentially planar, with a maximum deviation of 0.009?(1)?Å from the least-squares plane. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond, generating an S(6) motif.

| S-EPMC3151759 | 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