Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-oxy]aniline.

ABSTRACT: In the title compound, C(16)H(14)N(4)O, there are inter-molecular N-H?N hydrogen bonds which may be effective in stabilizing the crystal. The title compound is an important medicament and is used in the synthesis of anti-tumour drugs.

SUBMITTER: Tang SG

PROVIDER: S-EPMC2969253 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-oxy]aniline.

Tang Shi-Gui SG Yang Cheng-Long CL Chen Jun-Hua JH Bi Sheng S Guo Cheng C

Acta crystallographica. Section E, Structure reports online 20090627 Pt 7

In the title compound, C(16)H(14)N(4)O, there are inter-molecular N-H⋯N hydrogen bonds which may be effective in stabilizing the crystal. The title compound is an important medicament and is used in the synthesis of anti-tumour drugs. ...[more]

PMID: 21582959

Similar Datasets

tert-Butyl N-{4-methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-oxy]phen-yl}carbamate.

Project description:In the mol-ecule of the title compound, C(21)H(22)N(4)O(3), the pyrimidine ring is oriented at dihedral angles of 0.51?(3) and 50.76?(3)° to the pyridine and benzene rings, respectively. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(24) ring motifs; the dimers are linked by inter-molecular C-H?O hydrogen bonds into a two-dimensional network. ?-? contacts between the benzene rings and between the pyrimidine and pyridine rings [centroid-centroid distances = 3.891?(1) and 3.646?(1)?Å, respectively] may further stabilize the structure. Two weak C-H?? inter-actions are also present.

| S-EPMC2977178 | biostudies-literature

Acetato-(N-[(E)-1-(6-methyl-2-pyrid-yl)methyl-idene]-2-{2-[(E)-1-(6-methyl-2-pyrid-yl)methyl-idene-amino]-pheneth-yl}aniline)nickel(II) perchlorate.

Project description:In the title complex, [Ni(CH(3)COO)(C(28)H(26)N(4))]ClO(4), the Ni(II) atom is coordinated by two imine N atoms and two pyridine N atoms of the N-[(E)-1-(6-methyl-2-pyrid-yl)methyl-idene]-2-(2-[(E)-1-(6-methyl-2-pyrid-yl)methyl-idene-amino]-pheneth-yl)aniline donor ligand and two O atoms of the acetate ion in a distorted octa-hedral coordination. The average Ni-N and Ni-O bond lengths are 2.131?(13) and 2.098?(11)?Å, respectively. An intramolecular N-H?O inter-action occurs. Relatively weak inter-molecular C-H?O inter-actions between the ligands and the ClO(4) (-) ions result in a chain extending along the b axis.

| S-EPMC2983324 | biostudies-literature

N-(Pyrimidin-2-yl)aniline.

Project description:There are two molecules in the asymmetric unit of the title compound, C(10)H(9)N(3), with inter-ring dihedral angles of 31.1 (1) and 35.3 (1)°. The bridging C-N-C bond angles are 128.2 (1) and 129.1 (1)°. In the crystal, the two independent mol-ecules are linked into a dimer by two N-H⋯N hydrogen bonds.

| S-EPMC2969043 | biostudies-literature

Bis(3-meth-oxy-6-methyl-2-pyrid-yl) ether.

Project description:In the mol-ecule of the title compound, C(14)H(16)N(2)O(3), the dihedral angle between the pyridyl rings is 87.74 (3)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into infinite zigzag chains.

| S-EPMC2960406 | biostudies-literature

2-Chloro-8-methyl-3-[(pyrimidin-4-yl-oxy)meth-yl]quinoline.

Project description:In the title compound, C(15)H(12)ClN(3)O, the quinoline ring system is essentially planar, with a maximum deviation of 0.017?(1)?Å. The crystal packing is stabilized by ?-? stacking inter-actions between the quinoline rings of adjacent mol-ecule, with a centroid-centroid distance of 3.5913?(8)?Å. A weak C-H?? contact is also observed between mol-ecules.

| S-EPMC2979073 | biostudies-literature

Methyl 2,6-bis-[(5-bromo-4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]benzoate.

Project description:In the title compound, C(20)H(18)Br(2)N(4)O(8), the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent mol-ecules are connected into two-mol-ecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) Å] and Br⋯O [3.206 (3) and 3.301 (4) Å] inter-actions. A weak inter-molecular π-π aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) Å] is also observed.

| S-EPMC3006963 | biostudies-literature

N-(4,6-Dimeth-oxy-pyrimidin-2-yl)-2-(3-methyl-phen-yl)acetamide.

Project description:In the title compound, C(15)H(17)N(3)O(3), the dihedral angle between the pyrimidine and benzene rings is 87.0?(7)°. In the crystal, mol-ecules are linked into inversion dimers with R(2) (2)(8) graph-set motifs by a pair of N-H?O hydrogen bonds. Weak C-H?O hydrogen bonds and inter-molecular ?-? inter-actions [centroid-centroid distance = 3.544?(1)?Å] are also observed.

| S-EPMC3254559 | biostudies-literature

4-Chloro-N-(2-pyrid-yl)aniline.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(11)H(9)ClN(2), with dihedral angles of 41.84 (12) and 49.24 (12)° between the aromatic ring planes. The two mol-ecules form a dimer via a pair of N-H⋯N hydrogen bonds.

| S-EPMC2959926 | biostudies-literature

4-Chloro-N-(pyrimidin-2-yl)aniline.

Project description:The two aromatic rings in the title compound, C(10)H(8)ClN(3), open the angle at the planar N atom to 128.00?(12)°. The amino N atom of one mol-ecule forms a hydrogen bond to the 1-N atom of an adjacent pyrimidyl ring, generating a hydrogen-bonded dimer.

| S-EPMC2968001 | biostudies-literature

2-Meth-oxy-6-[(Z)-[(5-methyl-2-pyrid-yl)imino-meth-yl]phenol.

Project description:The title compound, C(14)H(14)N(2)O(2), was obtained by a condensation reaction between o-vanillin and 5-methyl-pyridin-2-amine. In the mol-ecule, the dihedral angle between the pyridine and benzene rings is 9.08?(13)°. An intra-molecular hydrogen bond involving the imine N atom and the hydroxyl group may influence the conformation of the mol-ecule. The crystal structure is stabilized by weak C-H?O hydrogen bonds.

| S-EPMC2970039 | 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