Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Wang CP

PROVIDER: S-EPMC3254479 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Cui-Ping CP Yu Jiang-Long JL Zhang Zhi-Qiang ZQ Yan Jing-Bo JB

Acta crystallographica. Section E, Structure reports online 20111217 Pt 1

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⋯π and C-H⋯O inter-actions. ...[more]

PMID: 22259421

Similar Datasets

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

(Z)-Methyl 4-({3-[(2,5-dioxoimidazolidin-4-yl-idene)meth-yl]-1H-indol-1-yl}meth-yl)benzoate.

Project description:In the title compound, C(21)H(17)N(3)O(4), pairs of mol-ecules form a planar[maximum deviation 0.0566 (9) Å] centrosymmetric imidazole dimer via two N-H⋯O hydrogen bonds. These dimeric units are linked by further N-H⋯O hydrogen bonds between the ester carbonyl group and the imidazolidine ring, formiing chains parallel to the c-axis direction. In addition, there are π-π stacking inter-actions between the planar imidazole pairs, with an inter-planar spacing of 3.301 (2) Å. There is a double bond with Z geometry connecting the imidazolidine and indole units.

| S-EPMC2967975 | 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

Ethyl 2-(5-meth-oxy-2-methyl-1H-indol-3-yl)acetate.

Project description:In the title compound, C14H17NO3, the nine-membered 1H-indole ring system is essentially planar [maximum deviation = 0.019?(1)?Å]. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds, forming chains along [001]. These chains are linked via C-H?O hydrogen bonds and C-H?? inter-actions, forming a two-dimensional network lying parallel to the ac plane.

| S-EPMC3793745 | 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

N'-[(E)-4-Meth-oxy-benzyl-idene]-2-(5-meth-oxy-2-methyl-1H-indol-3-yl)acetohydrazide.

Project description:The conformation adopted by the title compound, C20H21N3O3, in the crystal is 'J'-shaped and appears to be at least partially directed by a weak intra-molecular C-H?N hydrogen bond. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming dimers with R 2 (2)(8) motifs. Furthermore, these dimers connect to each other via C-H?O and N-H?O hydrogen bonds to form a three-dimensional network.

| S-EPMC3884321 | biostudies-literature

Methyl (2Z)-2-[(2-formyl-3-methyl-1H-indol-1-yl)meth-yl]-3-(4-meth-oxy-phen-yl)prop-2-enoate.

Project description:In the title indole derivative, C22H21NO4, the dihedral angle between the benzene and pyrrole rings of indole moiety is 1.8 (1)°. The plane of the 4-meth-oxy-phenyl ring is oriented with a dihedral angle of 60.7 (1)° with respect to the plane of the indole moiety. The mol-ecular packing is stabilized by C-H⋯O hydrogen bonds which form a V-shaped chain arrangement along the bc plane of the unit cell. In addition to this, C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.8102 (11) and 3.8803(12) Å], which run along the b-axis direction, stabilize the mol-ecular packing.

| S-EPMC3998543 | biostudies-literature

2-(4-Meth-oxy-1H-indol-3-yl)acetonitrile.

Project description:In the title compound, C(11)H(10)N(2)O, the cyanide group is twisted away from the indole-ring plane [C(cy)-C(me)-C(ar)-C(ar) = 70.7 (2)°; cy = cyanide, me = methyl-ene, ar = aromatic], whereas the meth-oxy C atom is almost coplanar with the ring system [displacement = 0.014 (5) Å]. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into C(7) chains propagating in [100].

| S-EPMC3254486 | biostudies-literature

Diethyl 2-[(5-meth-oxy-2-methyl-1-phenyl-sulfonyl-1H-indol-3-yl)methyl-ene]malonate.

Project description:In the title compound, C(24)H(25)NO(7)S, the sulfonyl-bound phenyl ring is approximately perpendicular to the indole ring system [dihedral angle = 87.72?(5)°]. The methyl group of one of the ester units is disordered over two positions with occupancies of 0.527?(13) and 0.473?(13). An intra-molecular C-H?O hydrogen bond is observed. In the crystal structure, mol-ecules are linked into a ribbon structure running along the c axis by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions involving the pyrrole ring.

| S-EPMC2969626 | 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