Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(1H-Pyrrolo-[2,3-b]pyridin-2-yl)pyridine.

ABSTRACT: The asymmetric unit of the title compound, C12H9N3, contains two independent mol-ecules in which the dihedral angle between the pyridine and aza-indole rings are 8.23?(6) and 9.89?(2)°. In the crystal, both types of mol-ecule are connected by pairs of N-H-N hydrogen bonds into inversion dimers.

SUBMITTER: Huang PH

PROVIDER: S-EPMC3647869 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4-(1H-Pyrrolo-[2,3-b]pyridin-2-yl)pyridine.

Huang Ping-Hsin PH Wen Yuh-Sheng YS Shen Jiun-Yi JY

Acta crystallographica. Section E, Structure reports online 20130410 Pt 5

The asymmetric unit of the title compound, C12H9N3, contains two independent mol-ecules in which the dihedral angle between the pyridine and aza-indole rings are 8.23 (6) and 9.89 (2)°. In the crystal, both types of mol-ecule are connected by pairs of N-H-N hydrogen bonds into inversion dimers. ...[more]

PMID: 23723835

Similar Datasets

2-(1H-Pyrrolo-[2,3-b]pyridin-2-yl)pyridine.

Project description:In the title compound, C(12)H(9)N(3), the dihedral angle between the pyridine and aza-indole rings is 6.20 (2)°. In the crystal, pairs of N-H⋯N hydrogen bonds link mol-ecules into inversion dimers.

| S-EPMC3379496 | biostudies-literature

5-Bromo-1H-pyrrolo-[2,3-b]pyridine.

Project description:In the title compound, C7H5BrN2, fused six-membered pyridine and five-membered pyrrole rings form the essentially planar aza-indole skeleton (r.m.s. deviation = 0.017?Å). In the crystal, pairs of N-H?N hydrogen bonds connect the mol-ecules into inversion dimers.

| S-EPMC3588463 | biostudies-literature

4-Chloro-1-(4-methyl-phenyl-sulfon-yl)-1H-pyrrolo[2,3-b]pyridine.

Project description:The crystal structure of the title compound, C(14)H(11)ClN(2)O(2)S, features a three-dimensional network stabilized by ?-? inter-actions between the rings of the 4-methyl-phenyl-sulfonyl protecting group [centroid-centroid distance = 3.623?(1)?Å]. The 4-methyl-phenyl-sulfonyl ring makes a dihedral angle of 79.60?(6)° with the 4-chloro-1H-pyrrolo[2,3-b]pyridine unit.

| S-EPMC2972132 | biostudies-literature

2-(Bicyclo-[2.2.1]hept-5-en-2-yl)-1H-pyrrolo-[2,3-b]pyridine.

Project description:The crystal structure of the title compound, C(14)H(14)N(2), displays inter-molecular N-H?N hydrogen bonds, forming dimers of enanti-omeric mol-ecules via a crystallographic centre of inversion.

| S-EPMC3006746 | biostudies-literature

2-(3,4,5-Trimethoxy-phen-yl)-1H-pyrrolo[2,3-b]pyridine.

Project description:In the title compound, C(16)H(16)N(2)O(3), the 3,4,5-trimethoxy-phenyl group makes a dihedral angle of 10.04?(7)° toward the 1H-pyrrolo[2,3-b]pyridine system. The crystal structure displays inter-molecular N-H?N hydrogen bonds, forming inversion dimers.

| S-EPMC2971873 | biostudies-other

4-Phenyl-sulfon-yl-2-(p-tolyl-sulfon-yl)-1H,8H-pyrrolo-[2,3-b]indole.

Project description:The title compound, C(23)H(18)N(2)O(4)S(2), contains a pyrrolo group fused onto the plane of an indole ring with phenyl-sulfonyl and p-toluene-sulfonyl groups bonded to the indole and pyrrolo rings. The angles between the mean planes of the pyrrolo-indole ring and the phenyl-sulfonyl and p-toluene-sulfonyl rings are 73.7 (6) and 80.6 (0)°, respectively. The dihedral angle between the mean planes of the two benzene rings is 78.7 (4)°. In the crystal, both classical N-H⋯O and non-classical C-H⋯O inter-molecular hydrogen-bonding inter-actions are observed, as well as weak π-π inter-actions [centroid-centroid distances = 3.6258 (8) and 3.9298 (8) Å], which contribute to the stability of the packing.

| S-EPMC3009299 | biostudies-literature

N-[(3RS,4RS)-1-Benzyl-4-methyl-piperidin-3-yl]-5-nitro-1-phenyl-sulfonyl-1H-pyrrolo-[2,3-b]pyridine-4-amine.

Project description:The pyrrolo-pyridine system in the title compound, C(27)H(29)N(5)O(4)S, is oriented at a dihedral angle of 71.20?(5)° towards the phenyl ring of the tosyl residue and at a dihedral angle of 45.43?(4)° towards the benzyl group. The structure shows an intra-molecular N-H?O and a weak intra-molecular N-H?N hydrogen bond. The piperidine ring adopts a chair conformation, with the cis substituents displaying a torsion angle of -54.59?(18)°.

| S-EPMC3470400 | biostudies-literature

N-[(3RS,4SR)-1-Benzyl-4-methyl-piperi-din-3-yl]-1-(4-methylphenyl-sulfonyl)-5-nitro-1H-pyrrolo-[2,3-b]pyridin-4-amine.

Project description:The structure of the title compound, C(27)H(29)N(5)O(4)S, displays an intra-molecular N-H?O hydrogen bond. The pyrrolo-[2,3-b]pyridine core makes a dihedral angle of 85.5?(4)° with the benzyl residue and a dihedral angle of 89.4?(9)° with the tosyl ring. The nitro group is slightly twisted out of the plane of the planar pyrrolo-pyridine system [(-N-)C-C-N-O torsion angle = -4.61?(18)° and (-NH-)C-C-N-O = -6.46?(18)°].

| S-EPMC3470359 | biostudies-literature

4-Chloro-1H-pyrrolo-[2,3-d]pyrimidine.

Project description:The title compound, C(6)H(4)ClN(3), is essentially planar with the pyrrole and pyrimidine rings inclined to one another by 0.79 (15)°. In the crystal, mol-ecules are connected via pairs of N-H⋯N hydrogen bonds, forming inversion dimers. These dimers are linked via C-H⋯N inter-actions, forming a two-dimensional network parallel to (10-1).

| S-EPMC3435690 | biostudies-literature

2-(3-Morpholino-prop-yl)-2,3-dihydro-1H-pyrrolo-[3,4-b]quinolin-1-one monohydrate.

Project description:In the title compound, C(18)H(21)N(3)O(2)·H(2)O, the fused-ring system is approximately planar [maximum atomic deviation = 0.028?(3)?Å]; the morpholine ring displays a chair conformation. The crystal packing is stabilized by classical inter-molecular O-H?O and O-H?N hydrogen bonds and weak C-H?O hydrogen bonds between the organic mol-ecules and the water mol-ecules.

| S-EPMC3011724 | 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