Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Bis(1-isopropyl-5-phenyl-1H-pyrazol-3-yl)pyridine.

ABSTRACT: In the title compound, C(29)H(29)N(5), the central pyridine ring and the two pyrazole rings are approximately coplanar, the dihedral angles between the pyridine and pyrazole rings being 3.94?(12) and 14.84?(12)°. The pyrazole and phenyl rings on each side of the mol-ecule are twisted with dihedral angles of 46.72?(8) and 73.39?(8)°. One phenyl ring inter-acts with a pyrazole ring of a neighbouring mol-ecule via a weak inter-molecular C-H?? inter-action, which stabilizes the mol-ecular packing.

SUBMITTER: Liu P

PROVIDER: S-EPMC2915287 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,6-Bis(1-isopropyl-5-phenyl-1H-pyrazol-3-yl)pyridine.

Liu Ping P Zhou Yong-Bo YB Li Min-Guo MG An Cai-Xia CX

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(29)H(29)N(5), the central pyridine ring and the two pyrazole rings are approximately coplanar, the dihedral angles between the pyridine and pyrazole rings being 3.94 (12) and 14.84 (12)°. The pyrazole and phenyl rings on each side of the mol-ecule are twisted with dihedral angles of 46.72 (8) and 73.39 (8)°. One phenyl ring inter-acts with a pyrazole ring of a neighbouring mol-ecule via a weak inter-molecular C-H⋯π inter-action, which stabilizes the mol-ecular packing. ...[more]

PMID: 21200793

Similar Datasets

2,6-Bis(3-phenyl-1H-pyrazol-5-yl)pyridine monohydrate.

Project description:In the title compound, C(23)H(17)N(5)·H(2)O, the pyrazole rings are slightly twisted from the central pyridine ring, forming dihedral angles of 5.3 (2) and 3.5 (2)°. The pyrazole and phenyl rings on each side of the pyridine ring are also approximately coplanar, making dihedral angles of 6.0 (2) and 4.5 (2)°. In the crystal structure, 2,6-bis-(3-phenyl-1H-pyrazol-5-yl)pyridine and water mol-ecules are linked together via N-H⋯O and O-H⋯N hydrogen bonds, forming a column running parallel to the a axis.

| S-EPMC2961158 | biostudies-literature

Crystal structure of 2,6-bis-[(1H-pyrazol-1-yl)meth-yl]pyridine.

Project description:In the title compound, C13H13N5, the planes of the pyrazolyl groups are nearly perpendicular to that of the central pyridine ring, making dihedral angles of 87.77?(8) and 85.73?(7)°. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into layers extending parallel to (10-1).

| S-EPMC4186076 | biostudies-literature

Crystal structure of di-chlorido-{2,6-bis-[(3-phenyl-1H-pyrazol-1-yl)meth-yl]pyridine}cobalt(II).

Project description:In the title complex, [CoCl2(C25H21N5)], the Co(II) atom is coordinated by two Cl atoms and two N atoms, provided by a tridentate pyrazolylpyridyl ligand, forming a slightly distorted tetra-hedral geometry [range of angles: 96.51 (10) (chelate ring) to 118.60 (9)°]. The dihedral angle between Cl/Co/Cl and N/Co/N planes is 86.83 (7)°. The chelate ring has the conformation of a distorted boat. The dihedral angle between pyridyl ring and the coordinated pyrazolyl ring is 56.16 (12)°. The uncoordinated pyrazolyl ring is almost perpendicular to the pyridyl ring with the dihedral angle of 87.49 (10)°. In the crystal packing, inter-molecular phenyl-C-H ⋯π(pyrid-yl) inter-actions generate dimeric aggregates. These are connected into a zigzag supra-molecular chain along the c-axis direction via π-π inter-actions [inter-centroid distance between pyridyl and phenyl rings = 3.664 (2) Å].

| S-EPMC4438808 | biostudies-literature

Bis(acetato-κO,O')[2,6-bis-(1H-pyrazol-3-yl-κN)pyridine-κN]manganese(II).

Project description:In the title complex, [Mn(CH(3)CO(2))(2)(C(11)H(9)N(5))], the Mn(II) atom is coordinated by the pyridine N atom and two pyrazole N atoms from a 2,6-bis-(pyrazol-3-yl)pyridine ligand and four O atoms from two bidentate acetate ligands. The complex mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds into a chain along [010]. π-π inter-actions between the pyridine rings and between the pyrazole rings [centroid-centroid distances = 3.772 (2) and 3.546 (2) Å] connect the chains.

| S-EPMC3099944 | biostudies-literature

2,6-Bis[1-(2-isopropyl-phenyl-imino)-ethyl]-pyridine.

Project description:The title compound, C(27)H(31)N(3), has E substitution at each imine double bond where the two N atoms adopt a trans-trans relationship. The benzene rings are twisted out of the mean plane of the pyridine ring; the mean planes of the aromatic groups are rotated by 63.0 (1) and 72.58 (8)°. The crystal structure is sustained mainly by C-H⋯π and hydro-phobic methyl-methyl inter-actions.

| S-EPMC2914989 | biostudies-literature

Bis[2,6-bis-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine]di-?(3)-iodido-diiodidotetra-copper(I).

Project description:In the title centrosymmetric tetra-nuclear complex, [Cu(4)I(4)(C(15)H(17)N(5))(2)], the two distinct Cu(I) atoms adopt similar tetra-hedral arrangements, each being ligated by two I atoms, and two N atoms from one 2,6-bis-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine ligand. In the crystal, there are no hydrogen bonds present, and only very weak ?-? inter-actions are observed [centroid-centroid distance = 3.985?(4)?Å], which connect neighbouring tetra-nuclear units into a chain motif along the b axis.

| S-EPMC3212142 | biostudies-literature

Diethyl 2,6-dimethyl-4-(5-phenyl-1H-pyrazol-4-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(22)H(25)N(3)O(4), the dihydro-pyridine ring adopts a flattened boat conformation. The pyrazole ring makes a dihedral angle of 29.04 (5)° with the benzene ring. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond which generates an S(9) ring motif. In the crystal, mol-ecules are linked via N-H⋯O and C-H⋯N hydrogen bonds into a two-dimensional network parallel to the ab plane. The crystal structure is further consolidated by weak C-H⋯π inter-actions.

| S-EPMC3297939 | biostudies-literature

2,6-Bis[1-(2,6-diethyl-phenyl-imino)eth-yl]pyridine.

Project description:The title compound, C(29)H(35)N(3), is the product of the condensation reaction between 2,6-diacetyl-pyridine and 2,6-diethyl-aniline. In the mol-ecule, the pyridyl ring is coplanar with the imino functional groups [torsion angles in the range 177.1 (2)-179.9 (2)°. The two 2,6-diethyl-substituted benzene rings are approximately perpendicular to the ethyl-idenepyridine central core, the dihedral angles being 88.7 (1) and 88.4 (1)°, respectively.

| S-EPMC2959797 | biostudies-literature

4-Phenyl-2,6-bis-(4-tol-yl)pyridine.

Project description:The title mol-ecule, C(25)H(21)N, situated on the crystallographic twofold axis has a symmetry point group 2. The inter-planar angles between the central pyridyl ring and the phenyl and the methyl-phenyl rings are 32.8 (2) and 23.7 (2)°, respectively. In the crystal packing, the central pyridyl rings of adjacent mol-ecules are involved in π-π inter-actions, forming one-dimensional arrays along the c axis with centroid-centroid distances of 3.714 (1) Å.

| S-EPMC3008142 | biostudies-literature

3,5-Bis[1-acetyl-5-(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-pyridine.

Project description:The title compound, C(29)H(27)Cl(2)N(5)O(2), contains a central pyridine ring and two functionalized pyrazoline rings. The pyridine ring and the two attached pyrazoline rings are nearly coplanar, whereas the terminal chloro-phenyl rings are nearly perpendicular to the attached pyrazoline rings [dihedral angles = 86.78?(1) and 77.70?(1)°]. Mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonding.

| S-EPMC2960675 | 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