Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 5-meth-oxy-2-nitro-4-[3-(piperidin-1-yl)prop-oxy]benzoate.

ABSTRACT: In the mol-ecule of the title compound, C(17)H(24)N(2)O(6), the dihedral angle between the four coplanar atoms of the piperidine ring and the benzene ring is 39.2?(1)°.

SUBMITTER: Zhang M

PROVIDER: S-EPMC2968430 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 5-meth-oxy-2-nitro-4-[3-(piperidin-1-yl)prop-oxy]benzoate.

Zhang Min M Lu Ran-Zhe RZ Han Lu-Na LN Wei Wen-Bin WB Wang Hai-Bo HB

Acta crystallographica. Section E, Structure reports online 20090221 Pt 3

In the mol-ecule of the title compound, C(17)H(24)N(2)O(6), the dihedral angle between the four coplanar atoms of the piperidine ring and the benzene ring is 39.2 (1)°. ...[more]

PMID: 21582216

Similar Datasets

Methyl 4-(3-chloro-prop-oxy)-5-meth-oxy-2-nitro-benzoate.

Project description:The asymmetric unit of the title compound, C(12)H(14)ClNO(6), contains two crystallographically independent mol-ecules, in which the benzene rings are oriented at a dihedral angle of 9.12 (3)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2969097 | biostudies-literature

Methyl 2-meth-oxy-4-{[2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzoate.

Project description:The mol-ecule of the title Schiff base compound, C(16)H(15)N(3)O(5), obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 4-nitro-phenyl-hydrazine, adopts an E geometry with respect to the C=N double bond. The mol-ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90 (9)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link centrosymmetrically related pairs of mol-ecules, forming dimers of R(2) (2)(22) graph-set motif. The dimers are further connected through slipped π-π inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646 (1) Å, offset angle of 15.4°].

| S-EPMC2983317 | biostudies-literature

2-Meth-oxy-4-(prop-2-en-1-yl)phenyl benzoate.

Project description:In the title compound, C17H16O3, the benzene rings are twisted by 63.54?(5)°. The twist is similar to that found in the unsubstituted compound, phenyl benzoate. The crystal packing features C-H?O hydrogen bonds.

| S-EPMC3770366 | biostudies-literature

7-Meth-oxy-1-(4-nitro-benzo-yl)naph-thalen-2-yl 4-nitro-benzoate.

Project description:In the title compound, C(25)H(16)N(2)O(8), the dihedral angle between the naphthalene ring system and the benzene ring of the nitro-phenyl ketone unit is 82.64?(7)°. The bridging ester O-C(=O)-C plane makes dihedral angles of 42.12?(8) and 11.47?(9)°, respectively, with the naphthalene ring system and the benzene ring of the nitro-phenyl ester unit. In the crystal, two types of weak inter-molecular C-H?O inter-actions are observed.

| S-EPMC3213489 | biostudies-literature

Methyl 4-(5-meth-oxy-1H-indol-3-yl)benzoate.

Project description:In the title compound, C(17)H(15)NO(3), the dihedral angle between the benzene ring and the indole ring system is 22.5?(3)°. In the crystal, mol-ecules are linked by N-H?? and C-H?O inter-actions.

| S-EPMC3254479 | biostudies-literature

Methyl (E)-3,5-dimeth-oxy-2-{[2-(4-meth-oxy-benzo-yl)hydrazin-1-yl-idene]meth-yl}benzoate.

Project description:In the title compound, C(19)H(20)N(2)O(6), the azomethine [C=N = 1.269?(2)?Å] double bond adopts an E conformation and the dihedral angle between the planes of the benzene rings is 17.41?(11)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(16) loops. The dimers are connected by C-H?O and C-H?N hydrogen bonds, forming sheets lying parallel to (100).

| S-EPMC3435694 | biostudies-literature

1-[(3-Methyl-piperidin-1-yl)(3-nitro-phen-yl)meth-yl]naphthalen-2-ol.

Project description:The title compound, C(23)H(24)N(2)O(3), was synthesized from naphthalen-2-ol, 3-nitro-benzaldehyde and 3-methyl-piperidine. The dihedral angles between the naphthalene system and the nitro-benzene and methyl-piperidine rings are 78.53?(13) and 64.14?(15)°, respectively. The mol-ecular conformation is stabilized by a strong intra-molecular O-H?N hydrogen bond.

| S-EPMC3011680 | biostudies-literature

2-{[2,8-Bis(trifluoro-meth-yl)quinolin-4-yl](hy-droxy)meth-yl}piperidin-1-ium 3-amino-5-nitro-benzoate sesquihydrate.

Project description:The asymmetric unit of the title salt solvate, C(17)H(17)F(6)N(2)O(+)·C(7)H(5)N(2)O(4) (-)·1.5H(2)O, comprises a piperidin-1-ium cation, a 3-amino-5-nitro-benzoate anion, and three fractionally occupied [i.e. 0.414?(3), 0.627?(6) and 0.459?(5)] disordered water mol-ecules of solvation. The cation has an L shape with a C-C-C-C torsion angle of -102.9?(3)° for the atoms linking the quinolinyl group to the rest of the cation. In the anion, the carboxyl-ate and nitro groups are essentially coplanar with the benzene ring [O-C-C-C torsion angle = 179.7?(2)° and O-N-C-C torsion angle = -3.9?(3)°]. In the crystal, extensive O-H?O, O-H?F and N-H?·O hydrogen bonding leads to the formation of a layer in the ab plane.

| S-EPMC3247418 | biostudies-literature

3,3-Bis[(4-meth-oxy-phen-yl)sulfan-yl]-1-methyl-piperidin-2-one.

Project description:The piperidone ring in the title compound, C(20)H(23)NO(3)S(2), has a distorted half-chair conformation with the central methyl-ene atom of the propyl fragment lying 0.696 (1) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.071 Å). One of the S-bound phenyl rings is almost perpendicular to the mean plane through the piperidone ring, whereas the other is splayed [dihedral angles = 71.95 (6) and 38.42 (6)°]. In the crystal, C-H⋯O and C-H⋯π inter-actions lead to the formation of supra-molecular layers in the ab plane.

| S-EPMC3393893 | biostudies-literature

2-Methyl-propan-2-aminium 2-(meth-oxy-carbon-yl)benzoate.

Project description:In the title compound, C(4)H(12)N(+)·C(9)H(7)O(4) (-), two C atoms and the N atom of the cation lie on a mirror plane, while all the atoms of the anion are disordered about a mirror plane. In the crystal, N-H?O hydrogen bonds link the components into chains along [010]. In the anion, the mean planes of the methoxycarbonyl and carboxylate groups form dihedral angles of 83.0 (2) and 83.2 (2)°, respectively, with the aromatic ring.

| S-EPMC3201413 | 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