Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-Cyclo-hexyl-2-(5-meth-oxy-1H-indol-3-yl)-2-oxoacetamide.

ABSTRACT: In the title compound, C(17)H(20)N(2)O(3), the cyclo-hexane ring adopts a chair conformation. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into layers parallel to the ac plane.

SUBMITTER: Liu J

PROVIDER: S-EPMC3051520 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-Cyclo-hexyl-2-(5-meth-oxy-1H-indol-3-yl)-2-oxoacetamide.

Liu Jing J Liu Yong-Feng YF Zhang Shi S Gao Ying Y Chen Hong H

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

In the title compound, C(17)H(20)N(2)O(3), the cyclo-hexane ring adopts a chair conformation. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ac plane. ...[more]

PMID: 21522980

Similar Datasets

N-Cyclo-hexyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Project description:In title compound, C(16)H(17)FN(2)O(2), the cyclo-hexane ring adopts a chair conformation.. The crystal packing is stabilized by weak ?-? stacking inter-actions [centroid-centroid distance = 3.503?(5)?Å] and inter-molecular C-H?O, N-H?O and N-H?F hydrogen-bond inter-actions.

| S-EPMC3151783 | biostudies-literature

2-(1-Ethyl-5-meth-oxy-1H-indol-3-yl)-N-(4-meth-oxy-phen-yl)-2-oxoacetamide.

Project description:The title compound, C(20)H(20)N(2)O(4), crystallizes with four independent mol-ecules in the asymmetric unit. In the mol-ecules, the dihedral angles between the benzene rings and indole mean planes are 24.5 (1), 22.5 (1), 8.8 (1) and 13.9 (1)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds are present between the imino groups and the adjacent carbonyl groups. π-π stacking is also observed with a centroid-centroid distance between nearly parallel pyrrole rings of 3.745 (3) Å.

| S-EPMC3051647 | biostudies-literature

2-(1-Ethyl-5-meth-oxy-1H-indol-3-yl)-N-isopropyl-2-oxoacetamide.

Project description:In the title compound, C(16)H(20)N(2)O(3), the crystal packing is stabilized by weak ?-? stacking inter-actions [centroid-centroid distances = 3.577?(9) and 3.693?(9)?Å] and inter-molecular C-H?O and N-H?O hydrogen-bond inter-actions. The C atoms of the N-isopropyl group are disordered over two sets of sites with occupancies of 0.61(3) and 0.39(3).

| S-EPMC3089210 | biostudies-literature

5-Meth-oxy-1-[(5-meth-oxy-1H-indol-2-yl)meth-yl]-1H-indole.

Project description:In the title compound, C(19)H(18)N(2)O(2), the two indole ring systems are essentially planar [maximum deviation = 0.015 (2) Å in both indole ring systems] and make a dihedral angle of 72.17 (7)° with each other. In the crystal, the mol-ecules are linked into a zigzag chain along the a axis via N-H⋯O hydrogen bonds.

| S-EPMC3343946 | biostudies-literature

5-Meth-oxy-3-[(5-meth-oxy-1H-indol-3-yl)(phen-yl)meth-yl]-1H-indole.

Project description:In the title compound, C(25)H(22)N(2)O(2), the indole rings are individually almost planar [with maximum deviations of 0.0116 (19) and 0.0113 (18) Å] and are almost orthogonal to each other, making a dihedral angle of 84.49 (6)°. The benzene ring is inclined at 72.83 (9) and 80.85 (9)° with respect to the indole rings. In the crystal, mol-ecules are linked by N-H⋯O inter-actions into chains running parallel to the c axis. The crystal structure is further stabilized by C-H⋯π inter-actions.

| S-EPMC3238863 | biostudies-literature

5-Meth-oxy-2-[(5-meth-oxy-1H-indol-1-yl)carbon-yl]-1H-indole.

Project description:The asymmetric unit of the title compound, C(19)H(16)N(2)O(3), comprises three independent mol-ecules (A, B and C). The inversion-related molecule of A is virtually superimposable upon the other two molecules. In each mol-ecule, there is a twist in the link between the approximately syn carbonyl and amine groups [the N-C-C-O torsion angles range from 19.73?(19) to -21.2?(2)°]. Each mol-ecule has a bent shape quanti-fied in terms of the dihedral angle between the indole and indole fused-ring systems [range = 45.69?(5)-47.91?(5)°]. In the crystal, the A and B mol-ecules form dimeric aggregates via ten-membered {?HNC(2)O}(2) synthons, while the C mol-ecules self-associate similarly but about a centre of inversion.

| S-EPMC3379355 | biostudies-literature

rac-4-{(E)-[1-Cyano-1-cyclo-hexyl-2-(1H-indol-3-yl)eth-yl]imino-meth-yl}benzonitrile.

Project description:A phosphine-catalysed addition of gramine to an alkyl-idene-amino-nitrile gives the title compound, C(25)H(24)N(4), in good yield. In the crystal, pairs of mol-ecules are connected via N-H⋯N hydrogen bonds into inversion dimers. The mol-ecules are characterized by a planar indole moiety [maximum deviation = 0.012 (1) Å], a chair conformation of the cyclo-hexane ring and an anti-periplanar conformation of the H atom on the cyclo-hexane and the adjacent cyano group.

| S-EPMC3239068 | biostudies-literature

1-Cyclo-hexyl-5-(4-meth-oxy-phen-yl)-1H-pyrazole-4-carb-oxy-lic acid.

Project description:In the title compound, C(17)H(20)N(2)O(3), the meth-oxy-phenyl unit is disordered over two sets of sites in a 0.715 (4):0.285 (4) ratio. The pyrazole ring forms dihedral angles of 55.88 (16) and 72.6 (4)° with the benzene rings of its major and minor components, respectively. The cyclo-hexane ring adopts a chair conformation and its C-N bond is in an equatorial orientation. In the crystal, mol-ecules are linked into inversion dimers by pairs of O-H⋯O hydrogen bonds, generating R(2) (2)(8) loops.

| S-EPMC3239134 | biostudies-literature

(5-Meth-oxy-1H-indol-3-yl)acetonitrile.

Project description:In the title compound, C(11)H(10)N(2)O, the O atom and the C atom of the methyl-ene group deviate only slightly [0.029?(3) and 0.055?(3)?Å, respectively] from the approximately planar ring system (r.m.s. deviation = 0.013?Å). In the crystal, N-H?O hydrogen bonds link the mol-ecules into zigzag chains running along the b axis.

| S-EPMC3254422 | biostudies-literature

Ethyl 1-cyclo-hexyl-5-(4-meth-oxy-phen-yl)-1H-pyrazole-4-carboxyl-ate.

Project description:In the title compound, C(19)H(24)N(2)O(3), the benzene ring forms a dihedral angle of 65.34 (7)° with the pyrazole ring. The cyclo-hexane ring adopts a chair conformation. In the crystal, mol-ecules are linked into a inversion dimers by pairs of C-H⋯O hydrogen bonds, generating R(2) (2)(22) ring motifs.

| S-EPMC3239089 | 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