Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 9H-carbazole-9-acetate.

ABSTRACT: The title compound, C(15)H(13)NO(2), was synthesized by N-alkyl-ation of methyl bromo-acetate with 9H-carbazole. The carbazole ring system is essentially planar (mean atomic deviation = 0.0346 Å) and makes a dihedral angle of 86.5 (7)° with the methyl acetate group. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

SUBMITTER: He YJ

PROVIDER: S-EPMC2977808 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 9H-carbazole-9-acetate.

He Yong-Jun YJ Xie Min-Hao MH Zou Pei P Liu Ya-Ling YL Wang Hong-Yong HY

Acta crystallographica. Section E, Structure reports online 20090425 Pt 5

The title compound, C(15)H(13)NO(2), was synthesized by N-alkyl-ation of methyl bromo-acetate with 9H-carbazole. The carbazole ring system is essentially planar (mean atomic deviation = 0.0346 Å) and makes a dihedral angle of 86.5 (7)° with the methyl acetate group. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. ...[more]

PMID: 21583945

Similar Datasets

9-Ethyl-3-(2-methyl-benzo-yl)-9H-carbazole.

Project description:In the title compound, C(22)H(19)NO, the dihedral angle between the benzene ring and the carbazole ring system 77.1 (1)°.. The crystal structure is stabilized by inter-molecular aromatic π-π inter-actions between the benzene ring and the pyrrole ring of the carbazole system of neighbouring mol-ecules [centroid-centroid distance = 3.617 (4) Å]. In addition, the crystal structure exhibits a weak inter-molecular C-H⋯π inter-action.

| S-EPMC2968395 | biostudies-literature

9-Butyl-9H-carbazole.

Project description:The title compound, C(16)H(17)N, is a carbazole derivative that has been designed and synthesized as a potential organic electronic device, such as an OLED. The tricyclic aromatic ring system is essentially planar, the two outer rings making a dihedral angle of 4.8 (1)°. No classical hydrogen bonds are observed in the crystal structure.

| S-EPMC2968689 | biostudies-literature

3,6-Diiodo-9H-carbazole.

Project description:In the title compound, C(12)H(7)I(2)N, the tricyclic aromatic ring system is essentially planar, with an r.m.s. deviation of 0.0272 Å. The two I atoms are marginally out of plane, with the C-I bonds angled at 3.9 (2) and 1.1 (2)° with respect to the planes of their respective benzene rings, above and below the plane of the carbazole ring system. No classical hydrogen bonds are observed in the crystal structure.

| S-EPMC3344172 | biostudies-literature

9-Benzyl-9H-carbazole.

Project description:The asymmetric unit of the title compound, C(19)H(15)N, contains two crystallographically independent mol-ecules. In both mol-ecules, the planar carbazole moieties [maximum deviations = 0.037 (4) and 0.042 (3) Å] are oriented with respect to the adjacent benzene rings, at dihedral angles of 85.29 (8) and 89.89 (7)°, respectively. In the crystal structure, weak C-H⋯π inter-actions are observed involving the carbazole rings.

| S-EPMC2979278 | biostudies-literature

9-Ethynyl-9H-carbazole.

Project description:The title compound, C(14)H(9)N, is the second crystallographically characterized example of an ynamine with an H atom in the C-terminal position. There are two independent mol-ecules (A and B) in the asymmetric unit. The structures of both mol-ecules are essentially planar (r.m.s. deviation = 0.0312 and 0.0152 Å). The N-C(sp) bond lengths are 1.353 (4) and 1.350 (4) Å, and those of the acetyl-ene bonds are 1.189 (4) and 1.190 (4) Å. The C(sp)-H bond lengths are 0.95 (5) and 0.97 (4) Å. These geometries are consistent with those of the previously reported ynamine characterized by crystallography. In the crystal, the mol-ecules stack along the c axis, forming two kinds of columnar structures. The acetyl-ene C atoms of mol-ecule A have a short contact [3.341 (4) Å and 3.396 (4) Å] with an adjacent mol-ecule A at the C-C bond of the fused part, which originates in π-π stacking inter-action; no remarkable spatial contact is recognized within the stacking of mol-ecule B.

| S-EPMC3297888 | biostudies-literature

1-Nitro-9H-carbazole.

Project description:In the title mol-ecule, C12H8N2O2, the nitro group is tilted slightly with respect to the carbazole moiety [angle between the least-squares planes = 4.43 (9)°]. In the crystal, the mol-ecules are connected via pairs of N-H⋯O hydrogen bonds into dimers with -1 symmetry. The dimers in turn are arranged into layers parallel to (10-1).

| S-EPMC3914074 | biostudies-literature

9-Phenyl-3,6-bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole.

Project description:In the title compound, C(30)H(35)B(2)NO(4), the carbazole skeleton is essentially planar (r.m.s. deviation for all non-H atoms = 0.035 Å), and is oriented at a dihedral angle of 65.0 (3)° with respect to the adjacent phenyl ring.

| S-EPMC3212309 | biostudies-literature

N-(2,6-Dimeth-oxy-pyridin-3-yl)-9-methyl-9H-carbazole-3-sulfonamide.

Project description:In the title compound, C20H19N3O4S, a novel tubulin ligand active against human cancer, the dihedral angle between the pyridine ring and the carbazole ring system is 42.87 (10)°. In the crystal, the mol-ecules are held together by N-H⋯O and C-H⋯O hydrogen bonds into layers, which are assembled into a three-dimensional network via π-π stacking inter-actions between inversion-related pyridine rings, with centroid-centroid distances of 3.5101 (12) Å.

| S-EPMC3629629 | biostudies-literature

9-[3-(9H-Carbazol-9-yl)-5-iodophenyl]-9H-carbazole

Project description:In the title compound, two independent molecules (A and B) are present in the asymmetric unit, with different conformations. The dihedral angle between the mean planes of the carbazole systems for molecule A is 49.1 (2)° compared to 84.0 (1)° for molecule B. In the crystal, numerous aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.7069 (19) Å] help to establish the three-dimensional supramolecular network. In the title compound, C30H19IN2, two independent molecules (A and B) are present in the asymmetric unit, with different conformations. The dihedral angle between the mean planes of the carbazole systems for molecule A is 49.1 (2)° compared to 84.0 (1)° for molecule B. In the crystal, numerous aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.7069 (19) Å] help to establish the three-dimensional supramolecular network.

| S-EPMC9462332 | biostudies-literature

9-Ethyl-9H-carbazole-3-carbaldehyde.

Project description:The title mol-ecule, C(15)H(13)NO, approximates a planar conformation except for the alkyl chain (ethyl group) bonded to the N atom with a maximum deviation from the least-squares plane through the 15 planar atoms of 0.120 (2) Å for the O atom. The distance of the formyl O atom from the plane of the carbazole ring is 0.227 (2) Å. The N-C bond lengths in the central ring are significantly different, reflecting the electron-withdrawing properties of the aldehyde group. As a consequence, charge transfer may occur from the carbazole N atom to the substituted benzene ring.

| S-EPMC3007555 | 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