Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(2-Methyl-benz-yl)-1H-indole-3-carbaldehyde.

ABSTRACT: In the title compound, C(17)H(15)NO, the benzene ring and the indole system are almost perpendicular, making a dihedral angle of 87.82 (6)°. The crystal packing is stabilized by C-H⋯O and π-π stacking inter-actions with centroid-centroid distances of 3.592 (4) Å between the pyrrole and the benzene rings in the indole systems of neighboring mol-ecules.

SUBMITTER: Wu Y

PROVIDER: S-EPMC3344094 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

5-Methyl-1H-indole-3-carbaldehyde.

Project description:The title mol-ecule, C(10)H(9)NO, is almost planar with an r.m.s. deviation for all non-H atoms of 0.0115 Å. In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along [021]. The chains are further connected via C-H⋯π inter-actions, forming layers in the bc plane.

| S-EPMC3435712 | biostudies-literature

3-(4-Methoxy-benz-yl)-2-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(23)H(21)NO(3)S. The indole ring system is approximately perpendicular to the sulfonyl phenyl ring in both mol-ecules [dihedral angles = 85.42 (8) and 88.30 (9)°]. C-H⋯O inter-actions between mol-ecules stabilize the crystal structure.

| S-EPMC2968905 | biostudies-literature

3-Methyl-1-tosyl-1H-indole-2-carbaldehyde.

Project description:The title indole derivative, C(17)H(15)NO(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The benzene ring of the tosyl group is almost perpedicular to the indole ring in both mol-ecules, with inter-planar angles of 82.60?(5)° and 81.82?(6)°. The two mol-ecules are, as a consequence, able to form an almost centrosymmetric non-bonded dimer, in which the molecules are linked by pairs of C-H?? inter-actions. The crystal structure displays a three-dimensional network of C-H?O inter-actions. A ?-? inter-action occurs between inversion-related indole rings with a centroid-centroid distance of 3.6774?(16)?Å and an inter-planar angle of 1.53?(15)°. This inter-action leads to a stacking of mol-ecules along the a axis.

| S-EPMC3569754 | biostudies-literature

1-(2-Nitro-benz-yl)-1H-pyrrole-2-carbaldehyde.

Project description:In the title compound, C(12)H(10)N(2)O(3), the five- and six-membered rings form a dihedral angle of 83.96?(6)°. The nitro group is twisted by 5.92?(8)° from the plane of the attached benzene ring. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into columns in the [100] direction, with a short distance of 3.725?(3)?Å between the centroids of benzene rings inside these columns.

| S-EPMC3120449 | biostudies-literature

1-[6-(1H-Indol-1-yl)pyridin-2-yl]-1H-indole-3-carbaldehyde.

Project description:In the title compound, C22H15N3O, the dihedral angle between the two indole units is 33.72 (3)°. The mol-ecular structure features a weak intra-molecular C-H⋯N inter-action. In the crystal, weak C-H⋯O and C-H⋯π inter-actions, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3998277 | biostudies-literature

1H-Indole-3-carbaldehyde.

Project description:In the title compound, C(9)H(7)NO, the benzene ring forms a dihedral angle of 3.98?(12)° with the pyrrole ring. In the crystal, N-H?O hydrogen bonds links the mol-ecules into chains which run parallel to [02-1].

| S-EPMC3515237 | biostudies-literature

5-Benz-yloxy-3-methyl-1-tosyl-1H-indole.

Project description:The title compound, C23H21NO3S, represents one of the few examples of a 5-substituted indole with a toluene-sulfonyl group bonded to the N atom. The benzyl group adopts a synclinal geometry with respect to the indole ring [dihedral angle = 59.95 (4)°], while the tolyl ring is oriented close to perpendicular to the indole ring, making a dihedral angle of 81.85 (3)°. The indole N atom exhibits a slight pyramidalization.

| S-EPMC3685113 | biostudies-literature

3-(4-Bromo-phen-yl)-1-(4-chloro-benz-yl)-1H-pyrazole-5-carbaldehyde.

Project description:The title compound, C(17)H(12)BrClN(2)O, was synthesized by oxidation of [3-(4-bromo-phen-yl)-1-(4-chloro-benz-yl)-1H-pyrazol-5-yl]methanol under mild conditions. The pyrazole ring makes dihedral angles of 3.29 (9) and 74.91 (4)°, respectively, with the bromo-phenyl and chloro-phenyl rings.

| S-EPMC3394000 | biostudies-literature

1H-Indole-3-carbaldehyde azine.

Project description:The molecule of the title compound, C(18)H(14)N(4), lies on a center of inversion such that there is one half-mol-ecule in the asymmetric unit. The N-N single bond adopts a trans configuration and the indole fused-ring system is nearly coplanar with the -CH=N-N=CH- fragment [dihedral angle = 9.8?(2)°]. Adjacent mol-ecules are linked by indole-azine N-H?N hydrogen bonds into a layer motif.

| S-EPMC2960762 | biostudies-literature

2-Methyl-1-phenyl-sulfonyl-1H-indole-3-carbaldehyde.

Project description:In the title compound, C(16)H(13)NO(3)S, the sulfonyl-bound phenyl ring forms a dihedral angle of 84.17?(6)° with the indole ring system. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The crystal structure exhibits weak inter-molecular C-H?O hydrogen bonds and ?-? inter-actions between the five- and six-membered rings of the indole group [centroid-centroid distance = 3.6871?(9)?Å].

| S-EPMC3201221 | biostudies-other

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