Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(4RS)-3-Benzyl 5-methyl 2,6-dimethyl-4-(4-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

ABSTRACT: In the title compound, C(23)H(22)N(2)O(6), the crystal packing is stabilized by inter-molecular N-H?O hydrogen bonds, which link the mol-ecules into chains running parallel to the c axis. Inter-molecular C-H?O hydrogen bonds are also present in the structure.

SUBMITTER: Zhang BZ

PROVIDER: S-EPMC2971781 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(4RS)-3-Benzyl 5-methyl 2,6-dimethyl-4-(4-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Zhang Bing-Zhu BZ Wang Yan-Ji YJ Sun Feng-Xia FX Zhang Xu X Wang Wei W

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

In the title compound, C(23)H(22)N(2)O(6), the crystal packing is stabilized by inter-molecular N-H⋯O hydrogen bonds, which link the mol-ecules into chains running parallel to the c axis. Inter-molecular C-H⋯O hydrogen bonds are also present in the structure. ...[more]

PMID: 21578909

Similar Datasets

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

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

Project description:The title mol-ecule, C(19)H(23)NO(4), was synthesized by the reaction of benzaldehyde, ethyl acetoacetate and NH(4)HCO(3). The dihydro-pyridine ring adopts a flattened boat conformation and the plane of the base of the boat forms a dihedral angle of 88.78?(9)° with the phenyl ring. The packing is stabilized by strong inter-molecular N-H?O and weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2969073 | biostudies-literature

Diethyl 2,6-dimethyl-4-p-tolyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(20)H(25)NO(4), the 1,4-dihydro-pyridine ring adopts a flattened-boat conformation and forms a dihedral angle of 89.77?(8)° with the benzene ring. Inter-molecular N-H?O hydrogen bonds result in the formation of extended chains parallel to the b axis.

| S-EPMC2970188 | biostudies-literature

Diethyl 4-(4-acetamido-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:The title compound, C(21)H(26)N(2)O(5), was unexpectedly obtained as a by-product in the reaction of ethyl acetoacetate, 4-acetamido-benzaldehyde and urea under microwave irradiation. The dihydro-pyridine ring assumes a flattened boat conformation. Inter-molecular N-H⋯O and weak C-H⋯O hydrogen bonding occurs in the crystal.

| S-EPMC3414982 | biostudies-literature

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

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 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?? inter-actions.

| S-EPMC2983583 | biostudies-literature

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

Project description:In the title compound, C(21)H(27)NO(5), the dihydropyridine ring adopts a boat conformation. The ethoxy-phenyl ring is oriented approximately perpendicular to the planar part of the dihydropyridine ring, making a dihedral angle of 89.45 (6)°. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, neighbouring mol-ecules are linked into chains along the a axis by N-H⋯O hydrogen bonds and the chains are inter-connected into two-dimensional networks parallel to the ab plane by C-H⋯O hydrogen bonds. The structure is further stabilized by weak C-H⋯π inter-actions.

| S-EPMC2969936 | 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

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