Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Abu Thaher B

PROVIDER: S-EPMC3435635 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Abu Thaher Bassam B Koch Pierre P Schollmeyer Dieter D Laufer Stefan S

Acta crystallographica. Section E, Structure reports online 20120801 Pt 9

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. ...[more]

PMID: 22969508

Similar Datasets

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

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-[5-Amino-4-(4-fluoro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzo-nitrile.

Project description:In the crystal structure of the title compound, C(21)H(14)FN(5), the pyrazole ring forms dihedral angles of 38.0 (1), 40.0 (1) and 28.5 (1)° with the directly attached 4-fluoro-phenyl, pyridine and benzonitrile rings, respectively. The crystal packing is characterized by N-H⋯N hydrogen bonds, which result in a two-dimensional network parallel to the ac-plane.

| S-EPMC3343917 | biostudies-literature

(E)-Benzaldehyde (2,4,6-trichloro-phen-yl)hydrazone.

Project description:The title compound, C(13)H(9)Cl(3)N(2), was obtained from a condensation reaction of benzaldehyde and 2,4,6-trichloro-phenyl-hydrazine. The mol-ecule assumes an E configuration with the phenyl ring and trichloro-phenyl ring located on opposite sides of the C=N bond. The phenyl ring is oriented at a dihedral angle of 42.58 (12)° with respect to the tricholorophenyl ring. In the crystal, the mol-ecules are linked via N-H⋯N hydrogen bonds, forming supra-molecular chains running along the c axis. π-π stacking is present between parallel trichloro-phenyl rings of adjacent mol-ecules, the face-to-face and centroid-centroid distances being 3.369 (14) and 3.724 (2) Å, respectively.

| S-EPMC3051786 | biostudies-literature

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

Project description:The synthesis of the title compound, C(16)H(15)N(3)O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxy-benzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An inter-molecular N-H⋯N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs parallel to the b axis.

| S-EPMC2977835 | biostudies-literature

N-(2-Methyl-phen-yl)-6-(1H-pyrazol-1-yl)pyridazin-3-amine.

Project description:The title compound, C(14)H(13)N(5), crystallizes with two crystallographically independent mol-ecules in the unit cell. The two mol-ecules form dimers through inter-molecular N-H?N and C-H?N hydrogen bonds. The hydrogen-bonding motifs are R(2) (2)(8) for both the N-H?N and C-H?N inter-actions. The pyrazole and pyrimidine rings form dihedral angles of 6.2?(3) and 8.3?(3)° with each other and the dihedral angles between the pyrazole and benzene rings are 54.9?(2) and 58.6?(2)°. The benzene rings of neighbouring dimers also exhibit C-H?? inter-actions.

| S-EPMC2969459 | biostudies-literature

2-[(E)-(2,4,6-Trichloro-phen-yl)imino-meth-yl]phenol.

Project description:The title mol-ecule, C(13)H(8)Cl(3)NO, exists in a trans configuration with respect to the C=N bond [1.278?(2)?Å]. The benzene rings form a dihedral angle of 24.64?(11)°. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif. In the crystal, ?-? stacking inter-actions [centroid-centroid distances = 3.6893?(14)?Å] are observed.

| S-EPMC3212321 | biostudies-literature

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

Project description: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.

| S-EPMC2969533 | biostudies-literature

3-tert-Butyl-1-(3-nitro-phen-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(13)H(16)N(4)O(2), the pyrazole ring forms a dihedral angle of 50.61?(6)° with the 3-nitro-phenyl ring. The plane of the nitro group is twisted by 6.8?(7)° out of the plane of the phenyl ring. In the crystal, the mol-ecules are linked by N-H?N and N-H?O hydrogen bonds, forming sheets in the bc plane. In addition, a weak C-H?N inter-action is observed.

| S-EPMC3515264 | biostudies-literature

2-[5-(2-Fluoro-phen-yl)-3-isobutyl-1H-pyrazol-1-yl]benzoic acid.

Project description:In the title compound, C(20)H(19)FN(2)O(2), the dihedral angle between the aromatic rings is 62.1?(1)°, and those between the pyrazole ring and the fluoro-benzene and benzoic acid rings are 52.1?(1) and 53.1?(1)°, respectively. In the crystal, mol-ecules are linked into [010] C(7) chains by O-H?N hydrogen bonds.

| S-EPMC3569238 | 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