Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Ethyl 5-methyl 4-(2,3-dichloro-phen-yl)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ate.

ABSTRACT: In the title compound, C(18)H(17)Cl(2)NO(4), an oxidation product of felodipine, the dihedral angle between the benzene and pyridine rings is 75.3?(4)°. The crystal structure is stabilized by intermolecular C-H?O interactions.

SUBMITTER: Luo J

PROVIDER: S-EPMC2983690 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Ethyl 5-methyl 4-(2,3-dichloro-phen-yl)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ate.

Luo Jing J Chen Hui H Wang Qiao-Feng QF Liu Hai-Jing HJ

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

In the title compound, C(18)H(17)Cl(2)NO(4), an oxidation product of felodipine, the dihedral angle between the benzene and pyridine rings is 75.3 (4)°. The crystal structure is stabilized by intermolecular C-H⋯O interactions. ...[more]

PMID: 21580309

Similar Datasets

Dimethyl 2,6-dimethyl-4-(2-nitro-phen-yl)pyridine-3,5-dicarboxyl-ate.

Project description:The title compound, C(17)H(16)N(2)O(6), is a decomposition product of the hypertension drug nifedipine [systematic name: dimethyl 2,6-dimethyl-4-(2-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate]. The dihedral angle between the nitro-sophenyl ring and the pyridine ring is 67.1?(5)°.

| S-EPMC3247561 | biostudies-literature

Dimethyl 2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the crystal of the title compound, C(11)H(15)NO(4), the mol-ecules are linked into sheets by N-H?O and C-H?O hydrogen bonds. Within the mol-ecule, the 1,4-dihydro-pyridine ring exhibits a distinctive planar conformation [r.m.s. deviation from the mean plane of 0.009?(3)Å], and the other non-H atoms are almost coplanar [r.m.s. deviation = 0.021?(3)?Å] with the 1,4-dihydro-pyridine ring. The conformation of the latter is governed mainly by two intra-molecular C-H?O non-classical inter-actions.

| S-EPMC2970369 | biostudies-literature

Dimethyl 2,6-dimethyl-4-phenyl-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(17)H(17)NO(4), the dihedral angle between the benzene and pyridine rings is 75.51 (4)°. The benzene and pyridine rings are both approximately planar (r.m.s. deviations of 0.0040 and 0.0083 Å, respectively), indicating that the pyridine N atom is not protonated. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯N inter-actions.

| S-EPMC3239105 | biostudies-literature

Dimethyl 4-(3,4-dimethoxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(19)H(23)NO(6), the 1,4-dihydro-pyridine ring is twisted slightly from planarity, with a maximum deviation of 0.101?(1)?Å, and adopts a very flattened boat conformation. The dihedral angle formed between the plane through the four C atoms of the 1,4-dihydro-pyridine ring and the benzene ring is 84.67?(7)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2979474 | biostudies-literature

Dimethyl 4-(4-ethoxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title mol-ecule, C(19)H(23)NO(5), the dihedral angle formed by the benzene ring and the planar part of the dihydro-pyridine ring is 83.52 (5)°. The dihydro-pyridine ring adopts a flattened boat conformation. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, generating chains running parallel to [100]. The crystal structure is consolidated by C-H⋯O contacts.

| S-EPMC2969859 | biostudies-literature

Dimethyl 1,4-dihydro-4-(4-methoxy-phen-yl)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(18)H(21)NO(5), the dihydro-pyridine ring adopts a flattened-boat conformation and its planar part forms a dihedral angle of 84.60 (2)° with the benzene ring. In the crystal, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds result in the formation of zigzag layers parallel to (001). These layers are inter-connected via C-H⋯π inter-actions.

| S-EPMC2983583 | biostudies-literature

Diethyl 4-[4-(dimethyl-amino)phen-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(21)H(28)N(2)O(4), the dihydro-pyridine ring adopts a flattened boat conformation. The mean plane of the dihydro-pyridine ring and the attached benzene ring form a dihedral angle of 85.1?(1)?Å. One of two ethyl fragments is disordered between two conformations in a 0.67?(4):0.33?(4) ratio. In the crystal structure, mol-ecules related by translation along the a axis are linked into chains via inter-molecular N-H?O hydrogen bonds.

| S-EPMC2983663 | biostudies-literature

Dimethyl 4-(4-hy-droxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:The title mol-ecule, C(17)H(19)NO(5), was prepared by a Hantzsch dihydro-pyridine synthesis from 4-hy-droxy-benzaldehyde, methyl acetoacetate and NH(4)HCO(3). In the mol-ecular structure of the title compound, the dihydro-pyridine ring adopts a flattened boat conformation and the plane of the base of the boat forms a dihedral angle of 80.8 (2)° with the aromatic six-membered ring. The packing is stabilized by strong inter-molecular N-H⋯O(carbon-yl), O(hydrox-y)-H⋯O(carbon-yl) and weak intra-molecular C-H⋯O hydrogen bonds.

| S-EPMC3200733 | biostudies-literature

Diethyl 4-(2,4-dichloro-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(19)H(21)Cl(2)NO(4), the dihydro-pyridine ring adopts a flattened boat conformation. The dichloro-phenyl ring is oriented almost perpendicular to the planar part of the dihydro-pyridine ring [dihedral angle = 89.1?(1)°]. An intra-molecular C-H?O hydrogen bond is observed. In the crystal structure, mol-ecules are linked into chains along the b axis by N-H?O hydrogen bonds.

| S-EPMC2979797 | biostudies-other

Diethyl 4-(4-cyano-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(20)H(22)N(2)O(4), the dihedral angle between the roughly planar dihydro-pyridine ring (r.m.s. deviation = 0.092?Å) and the benzene ring is 87.09?(6)°. One of the eth-oxy side chains is disordered over two orientations in a 0.669?(14):0.331?(14) ratio. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, generating chains.

| S-EPMC2979369 | 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