Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[3-(4-Fluoro-phen-yl)quinoxalin-2-yl]-N-isopropyl-pyridin-2-amine.

ABSTRACT: In the crystal structure of the title compound, C(22)H(19)FN(4), the quinoxaline system makes dihedral angles of 32.07?(13) and 69.64?(13)° with the 4-fluoro-phenyl and pyridine rings, respectively. The 4-fluoro-phenyl ring makes a dihedral angle of 71.77?(16)° with the pyridine ring. The crystal structure is stabilized by inter-molecular N-H?N hydrogen bonding.

SUBMITTER: Koch P

PROVIDER: S-EPMC2969533 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-[3-(4-Fluoro-phen-yl)quinoxalin-2-yl]-N-isopropyl-pyridin-2-amine.

Koch Pierre P Schollmeyer Dieter D Laufer Stefan S

Acta crystallographica. Section E, Structure reports online 20090520 Pt 6

In the crystal structure of the title compound, C(22)H(19)FN(4), the quinoxaline system makes dihedral angles of 32.07 (13) and 69.64 (13)° with the 4-fluoro-phenyl and pyridine rings, respectively. The 4-fluoro-phenyl ring makes a dihedral angle of 71.77 (16)° with the pyridine ring. The crystal structure is stabilized by inter-molecular N-H⋯N hydrogen bonding. ...[more]

PMID: 21583196

Similar Datasets

4-(4-Fluoro-phen-yl)-1-(4-nitro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

Project description:In the crystal structure of the title compound, C(20)H(14)FN(5)O(2), the pyrazole ring forms dihedral angles of 59.3?(2), 25.6?(2) and 46.0?(2)° with the directly attached 4-fluoro-phenyl, pyridine and nitro-phenyl rings, respectively. The crystal packing is characterized by inter-molecular N-H?N and N-H?O hydrogen bonds.

| S-EPMC3295427 | biostudies-literature

4-(4-Fluoro-phen-yl)-3-(pyridin-4-yl)-1-(2,4,6-trichloro-phen-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(20)H(12)Cl(3)FN(4), the pyrazole ring forms dihedral angles of 47.51?(9), 47.37?(9) and 74.37?(9)° with the directly attached 4-fluoro-phenyl, pyridine and 2,4,6-trichloro-phenyl rings, respectively. Only one of the two amino H atoms is involved in hydrogen bonding. The crystal packing is characterized by N-H?N hydrogen bonds, which result in infinite chains parallel to the c axis.

| S-EPMC3435635 | biostudies-literature

4-(4-Fluoro-phen-yl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(20)H(15)FN(4), the pyrazole ring forms dihedral angles of 43.51?(6), 39.95?(6) and 32.23?(6)° with the directly attached 4-fluoro-phenyl, pyridine and phenyl rings, respectively. The crystal packing is stabilized by inter-molecular N-H?N and N-H?F hydrogen bonds.

| S-EPMC3295426 | biostudies-literature

N-{4-[3-(4-Fluoro-phen-yl)pyrido[2,3-b]pyrazin-2-yl]-2-pyrid-yl}isopropyl-amine.

Project description:In the crystal structure of the title compound, C(21)H(18)FN(5), the pyridopyrazine ring system forms dihedral angles of 33.27?(7) and 48.69?(9)° with the 4-fluoro-phenyl and pyridine ring, respectively. The dihedral angle of the 4-fluoro-phenyl and pyridine rings is 57.45?(8)°. The crystal packing is characterized by an inter-molecular N-H?N hydrogen bond.

| S-EPMC2970374 | biostudies-literature

N-(3-Methyl-phen-yl)quinoxalin-2-amine monohydrate.

Project description:The quinoxaline system in the title hydrate, C(15)H(13)N(3)·H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 Å; this conformation features a short intra-molecular C-H⋯N(pyrazine) inter-action. In the crystal, the amine H atom forms an N-H⋯O hydrogen bond to the water mol-ecule, which in turn forms two O-H⋯N hydrogen bonds to the pyrazine N atoms of different organic mol-ecules. These inter-actions lead to supra-molecular arrays in the bc plane that are two mol-ecules thick; additional π-π inter-actions stabilize the layers [ring centroid-centroid distance = 3.5923 (7) Å]. The layers stack along the a-axis direction via C-H⋯π contacts.

| S-EPMC3007995 | biostudies-literature

N-(3-Chloro-phen-yl)-3-nitro-pyridin-2-amine.

Project description:The dihedral angle between the benzene and pyridyl rings in the title compound, C(11)H(8)ClN(3)O(2), is 22.65?(10)°, indicating a twisted mol-ecule. The amine H and nitro O atoms form a donor-acceptor pair for an intra-molecular N-H?O hydrogen bond so that the nitro group is almost coplanar with the pyridine ring to which it is connected [O-N-C-C torsion angle = 7.4?(3)°]. The pyridine N and Cl atoms are approximately syn. The crystal packing features C-H?Cl inter-actions that lead to undulating supra-molecular chains along [101]. These are connected into sheets by ?-? inter-actions occurring between the benzene rings and between the pyridine rings of translationally related mol-ecules along the b axis [centroid-centroid distances = length of b axis = 3.7157?(2)?Å].

| S-EPMC3247465 | biostudies-literature

4-Methyl-N-(3-methyl-phen-yl)pyridin-2-amine.

Project description:The title amine, C(13)H(14)N(2), is twisted with a dihedral angle between the rings of 60.07?(9)°. The amine N-H group and pyridine N atom are syn allowing for the formation of centrosymmetric eight-membered {?HNCN}(2) synthons via N-H?N hydrogen bonds. The two-mol-ecule aggregates are sustained in the three-dimensional crystal packing via C-H?? and ?-? inter-actions [centroid-centroid distance for pyridyl rings = 3.7535?(12)?Å].

| S-EPMC3247467 | biostudies-literature

N-(4-Methyl-phen-yl)-3-nitro-pyridin-2-amine.

Project description:Two independent mol-ecules comprise the asymmetric unit of the title compound, C(12)H(11)N(3)O(2). These differ in terms of the relative orientations of the benzene rings as seen in the respective dihedral angles formed between the pyridine and benzene rings [17.42 (16) and 34.64 (16)°]. Both mol-ecules are twisted about the amine-tolyl N-C bonds [respective torsion angles = 22.3 (5) and 35.9 (5)°] but only about the amine-pyridine N-C bond in the first independent mol-ecule [respective torsion angles = -11.7 (5) and 0.8 (5)°]. Intra-molecular N-H⋯O hydrogen bonds preclude the amine H atoms from forming significant inter-molecular inter-actions. The crystal packing features inter-molecular C-H⋯O and C-H⋯π and π-π [centroid-centroid distance: pyridine-benzene = 3.6442 (19) Å and pyridine-pyridine = 3.722 (2) Å] contacts.

| S-EPMC3008084 | biostudies-literature

(4-Chloro-2-fluoro-phen-yl)[1-(2,6-difluoro-phen-yl)but-3-en-yl]amine.

Project description:In the mol-ecule of the title homoallylic amine, C(16)H(13)ClF(3)N, the dihedral angle between the two benzene rings is 84.63?(4)°. Weak intra-molecular N-H?F hydrogen bonds generate S(6) and S(5) ring motifs. In the crystal structure, weak inter-molecuar N-H?F hydrogen bonds link mol-ecules into centrosymmetric dimers which are arranged in mol-ecular sheets parallel to the ac plane.

| S-EPMC2977711 | biostudies-literature

4-(4-Fluoro-phen-yl)-6-(2-fur-yl)pyrimidin-2-amine.

Project description:Mol-ecules of the title compound, C(14)H(10)FN(3)O, are essentially planar and in the crystal structure they form dimers via hydrogen bonds, involving pyrimidinyl N atoms and amino H atoms, about inversion centers. The centroids of the furyl and pyrimidinyl rings are separated by 3.489?(2)Å, indicating ?-? stacking inter-actions.

| S-EPMC2961462 | 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