Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diethyl 3,3'-(phenyl-methyl-ene)bis-(1H-indole-2-carboxyl-ate).

ABSTRACT: In the title compound, C(29)H(26)N(2)O(4), the benzene ring is twisted by 73.5 (5) and 84.9 (3)° with respect to the mean planes of the two indole ring systems; the mean planes of the indole ring systems are oriented at a dihedral angle of 82.0 (5)°. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds into chains.

SUBMITTER: Sun HS

PROVIDER: S-EPMC3435799 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diethyl 3,3'-(phenyl-methyl-ene)bis-(1H-indole-2-carboxyl-ate).

Sun Hong-Shun HS Li Yu-Long YL Xu Ning N Xu Hong H Zhang Ji-Dong JD

Acta crystallographica. Section E, Structure reports online 20120825 Pt 9

In the title compound, C(29)H(26)N(2)O(4), the benzene ring is twisted by 73.5 (5) and 84.9 (3)° with respect to the mean planes of the two indole ring systems; the mean planes of the indole ring systems are oriented at a dihedral angle of 82.0 (5)°. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds into chains. ...[more]

PMID: 22969645

Similar Datasets

Dimethyl 3,3'-(phenyl-methyl-ene)bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H22N2O4, the two indole ring systems are approximately perpendicular to each other, with a dihedral angle of 84.5 (5)° between their planes; the benzene ring is twisted with respect to the two indole ring systems at angles of 78.5 (5) and 86.5 (3)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, weak C-H⋯O and C-H⋯N hydrogen bonds, and C-H⋯π inter-actions into a three-dimensional supra-molecular architecture.

| S-EPMC3790385 | biostudies-literature

Crystal structure of dimethyl 3,3'-[(3-fluoro-phenyl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendic-ular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the b-axis direction. Weak C-H⋯π inter-actions are observed between neighbouring chains.

| S-EPMC4257463 | biostudies-literature

Diethyl 3,3'-[(3-fluoro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C29H25FN2O4, the mean planes of the indole ring systems are approximately perpendicular to one another [dihedral angle = 88.3 (4)°]. The benzene ring is twisted with respect to the indole ring systems by 49.8 (5) and 77.6 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers which are further linked into supra-molecular chains propagating along the [110] direction.

| S-EPMC9462259 | biostudies-literature

Crystal structure of dimethyl 3,3'-[(4-fluoro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H21FN2O4, the mean planes of the indole ring systems (r.m.s. deviations = 0.0263 and 0.0160 Å) are approximately perpendic-ular to one another, making a dihedral angle of 84.0 (5)°; the fluoro-benzene ring is twisted with respect to the mean planes of the two indole ring systems at 89.5 (5) and 84.6 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagated along the b-axis direction. Weak C-H⋯π inter-actions are observed between neighbouring chains.

| S-EPMC4647434 | biostudies-literature

Crystal structure of dimethyl 3,3'-[(4-chloro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H21ClN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.021 and 0.024 Å) are approximately perpendicular to one another, with a dihedral angle of 79.54 (12)°. The benzene ring is twisted with respect to the mean planes of the two indole ring systems at angles of 80.14 (15) and 86.30 (15)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming inversion dimers with an R (2) 2(18) ring motif. The dimers are linked by a further N-H⋯O hydrogen bond, forming chains along [100]. There are intra- and inter-molecular C-H⋯π inter-actions present, the latter linking the chains to form a three-dimensional supra-molecular structure.

| S-EPMC4257187 | biostudies-literature

Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C29H25N3O6, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0115 and 0.0082 Å) are approximately perpendic-ular to one another, making a dihedral angle of 89.7 (5)°; the benzene ring is twisted with respect to the two indole ring systems by 52.6 (4) and 88.2 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked into supra-molecular chains along the b-axis direction. Weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed in the crystal.

| S-EPMC5730260 | biostudies-literature

Crystal structure of dimethyl 3,3'-[(3-nitro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate) ethanol monosolvate.

Project description:In the title compound, C27H21N3O6·C2H5OH, the indole ring systems are approximately perpendicular to each other, with a dihedral angle of 89.3 (5)°; the plane of the benzene ring is oriented with respect to the indole ring systems at 49.9 (5) and 73.4 (3)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds and weak C-H⋯π inter-actions into a three-dimensional supra-molecular architecture. A void of 33.0 (7) Å(3) is observed in the crystal structure. The solvent ethanol molecule acts as a donor, forming an O-H⋯O hydrogen bond, reinforcing the framework structure.

| S-EPMC4257280 | biostudies-literature

Dimethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate) ethanol hemisolvate.

Project description:There are two main molecules in asymmetric unit of the title compound, C27H21N3O6·0.5C2H5OH. In both, the indole ring systems are approximately perpendicular to each other, at dihedral angles of 69.3 (5) and 82.8(4)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional supra-molecular architecture. The solvent ethanol mol-ecule acts as a donor, forming an O-H⋯O hydrogen bond, reinforcing the structure.

| S-EPMC9462316 | biostudies-literature

Crystal structure of diethyl 3,3'-[(2-fluoro-phen-yl)methyl-idene]bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C29H25FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.1392 and 0.0115 Å) are approximately perpendicular to one another, subtending a dihedral angle of 86.0 (5)°; the benzene ring is twisted with respect to the mean planes of the two indole ring systems by 83.3 (2) and 88.1 (4)°, respectively. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the [101] direction.

| S-EPMC5683515 | biostudies-literature

Ethyl 2-acetoxy-methyl-1-phenyl-sulfonyl-1H-indole-3-carboxyl-ate.

Project description:In the title compound, C(20)H(19)NO(6)S, the phenyl ring of the phenyl-sulfonyl group makes a dihedral angle of 83.35 (5)° with the indole ring system. The mol-ecular structure exhibits a number of short intramolecular C-H⋯O contacts.

| S-EPMC2970018 | 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