Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Bromo-N-(3,4-dimeth-oxy-benz-yl)pyridin-2-amine.

ABSTRACT: The title compound, C(14)H(15)BrN(2)O(2), an inter-mediate in drug discovery, was synthesized by the reaction of 5-bromo-pyridin-2-amine and 3,4-dimeth-oxy-benzaldehyde. In the crystal, molecules are linked via pairs ofN-H?N hydrogen bonds, leading to the formation of inversion dimers. A short contact occurs between the aryl H atom (ortho position from N) and the centroid of the benzene ring.

SUBMITTER: Li J

PROVIDER: S-EPMC3344531 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

5-Bromo-4-(3,4-dimeth-oxy-phen-yl)thia-zol-2-amine.

Project description:In the title compound, C(11)H(11)BrN(2)O(2)S, the thia-zole ring makes a dihedral angle of 53.16 (11)° with the adjacent benzene ring. The two meth-oxy groups are slightly twisted from the attached benzene ring with C-O-C-C torsion angles of -9.2 (3) and -5.5 (3)°. In the crystal, mol-ecules are linked by a pair of N-H⋯N hydrogen bonds into an inversion dimer with an R(2) (2)(8) ring motif. The dimers are further connected by N-H⋯O hydrogen bonds into a tape along [-110].

| S-EPMC3379236 | biostudies-literature

3-(3,4-Dimeth-oxy-benz-yl)chroman-4-one.

Project description:In the title compound, C(18)H(18)O(4), the six-membered chroman-4-one ring adopts an envelope conformation with the C atom bonded to the bridging CH(2) atom as the flap. The dihedral angle between the mean plane of the fused pyranone ring and the dimeth-oxy-substituted benzene ring is 89.72 (2)°. In the crystal, adjacent molecules are linked via C-H⋯π inter-actions.

| S-EPMC3569774 | biostudies-literature

5-Bromo-3-(indan-1-yl-oxy)pyridin-2-amine.

Project description:The title compound, C(14)H(13)BrN(2)O, was obtained by reaction of indan-1-yl methane-sulfonate with 2-amino-5-bromo-pyridin-3-ol in the presence of caesium carbonate. The indane ring system is approximately planar [all but one of the C atoms are coplanar within 0.03 Å, the latter atom being displaced by 0.206 (2) Å from the mean plane through the remaining atoms] and forms a dihedral angle of 58.41 (4)° with the pyridine ring. In the crystal, centrosymmetrically related mol-ecules are linked into dimers by N-H⋯N hydrogen bonds.

| S-EPMC3052095 | biostudies-literature

N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

Project description:In the title compound, C(24)H(30)N(6)O(5), the cyclo-hexyl ring adopts a chair conformation, while the remainder of the mol-ecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04?(12) and 75.99?(9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56?(15)° between them. They are also involved in an intra-molecular ?-? stacking inter-action with a distance of 3.6627?(18)?Å between the ring centroids. In the crystal, C-H?O contacts link the mol-ecules into chains along the b axis.

| S-EPMC3344196 | biostudies-literature

2,3-Dibromo-1-[4-(2,3-dibromo-4,5-di-meth-oxy-benz-yl)-2,5-dimeth-oxy-benz-yl]-4,5-dimeth-oxy-benzene.

Project description:The mol-ecule of the title compound, C(26)H(26)Br(4)O(6), is located around a crystallographic inversion center. The dihedral angle between the central benzene ring and the outer benzene ring is 89.26?(1)°.

| S-EPMC3009213 | biostudies-literature

6-Bromo-N-(6-bromo-pyridin-2-yl)-N-[4-(2,3-di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)phen-yl]pyridin-2-amine.

Project description:In the title mol-ecule, C22H15Br2N3O2S, the central benzene ring forms dihedral angles of 12.39?(17), 56.66?(17) and 74.71?(19)°, respectively, with the mean planes of the thio-phene and two pyridine rings. The dioxane ring is in a half-chair conformation. An intra-molecular C-H?O hydrogen forms an S(6) ring. The amine N atom is sp (2)-hybridized.

| S-EPMC4120601 | biostudies-literature

(E)-1-(3-Bromo-phen-yl)-3-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The mol-ecular structure of the title compound, C(17)H(15)BrO(3), consists of a bromo-phenyl and a 3,4-dimeth-oxy-phenyl group linked through a prop-2-en-1-one spacer. The C=C double bond displays an E conformation, while the carbonyl group shows an S-cis conformation relative to the double bond.

| S-EPMC3297934 | biostudies-literature

1-(3,5-Dimeth-oxy-benz-yl)-1H-pyrrole.

Project description:The title compound, C(13)H(15)NO(2), was synthesized from 3,5-dimeth-oxy-benzaldehyde. The dihedral angle between the pyrrole and benzene rings is 89.91 (5)°. In the crystal, weak C-H⋯O and C-H⋯π interactions link the mol-ecules into a three-dimensional network.

| S-EPMC3344503 | biostudies-literature

Ethyl 3-[2-(3,4-dimeth-oxy-benz-yl)-1-phenyl-sulfonyl-1H-indol-3-yl]acrylate chloro-form hemisolvate.

Project description:In the title compound, C(28)H(27)NO(6)S·0.5CHCl(3), the ethyl acrylate substituent adopts an extented conformation with all torsion angles close to 180°. The chloro-form solvent mol-ecule is disordered across an inversion centre and is therefore half occupied. The mol-ecular packing is controlled by inter-molecular C-H?O inter-actions.

| S-EPMC3120582 | biostudies-literature

3,4-Dimeth-oxy-4'-nitro-1,1'-biphen-yl.

Project description:The title compound, C(14)H(13)NO(4), was prepared through a palladium-catalysed Suzuki-Miyaura coupling reaction. The asymmetric unit comprises two mol-ecules related by pseudo-inversion symmetry. The dihedral angles between the benzene rings in the two mol-ecules are 44.30?(6) and 48.50?(6)° while those between the benzene ring and the nitro group are 6.54?(13) and 5.73?(10)°. The crystal packing is defined only by Van der Waals inter-actions.

| S-EPMC3344440 | 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