Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-4-(Dimethyl-amino)-benz-ylidene]-2-(5-meth-oxy-2-methyl-1H-indol-3-yl)acetohydrazide.

ABSTRACT: In the title compound, C(21)H(24)N(4)O(2), inversion-related mol-ecules are linked into dimers through pairs of N-H⋯O hydrogen bonds, which generate R(2) (2)(8) motifs. As well as dimer formation, an additional N-H⋯O hydrogen bond and two C-H⋯π contacts, involving H atoms from the phenyl ring and the pyrrole and benzene rings of the indole system, generate a three-dimensional network.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3393912 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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 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

2-(5-Meth-oxy-2-methyl-1H-indol-3-yl)-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]acetohydrazide.

Project description:The title compound, C21H21N3O2, adopts a J-shaped conformation which 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 into R 2 (2)(8) and R 2 (2)(14) cyclic dimers, which form a chain running parallel to the b axis.

| S-EPMC3884474 | 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-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

Methyl 4-benz-yloxy-7-meth-oxy-1-methyl-1H-indole-2-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(19)NO(4). The indole unit in each mol-ecule is essentially planar, with mean deviations of 0.017 (1) and 0.013 (1) Å and forms dihedral angles of 50.17 (7) and 26.05 (6)° with the phenyl ring. In the crystal, mol-ecules are linked by weak C-H⋯π inter-actions.

| S-EPMC3414935 | 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

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-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

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