Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Bis[4-(trifluoro-meth-yl)phen-yl]pyridine-2,6-dicarboxamide.

ABSTRACT: In the title mol-ecule, C(21)H(13)F(6)N(3)O(2), the pyridine ring forms dihedral angles of 1.7?(1) and 5.2?(1)° with the two benzene rings. In the crystal structure, inter-molecular N-H?O hydrogen bonds and ??? inter-actions [centroid-centroid distance of 3.628?(3)?Å between aromatic rings] link mol-ecules into stacks along the c axis. The two trifluoro-methyl groups are each rotationally disordered between two orientations, with occupancy ratios of 0.58?(1):0.42?(1) and 0.55?(1):0.45?(1).

SUBMITTER: Chen L

PROVIDER: S-EPMC2979671 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-Bis[4-(trifluoro-meth-yl)phen-yl]pyridine-2,6-dicarboxamide.

Chen Le L He Hongwu H Peng Hao H

Acta crystallographica. Section E, Structure reports online 20100120 Pt 2

In the title mol-ecule, C(21)H(13)F(6)N(3)O(2), the pyridine ring forms dihedral angles of 1.7 (1) and 5.2 (1)° with the two benzene rings. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds and π⋯π inter-actions [centroid-centroid distance of 3.628 (3) Å between aromatic rings] link mol-ecules into stacks along the c axis. The two trifluoro-methyl groups are each rotationally disordered between two orientations, with occupancy ratios of 0.58 (1):0.42 (1) and 0.55 (1):0.45 (1). ...[more]

PMID: 21579825

Similar Datasets

N,N'-Bis(8-quinol-yl)pyridine-2,6-dicarboxamide.

Project description:In the mol-ecule of the title compound, C(25)H(17)N(5)O(2), the pyridyl ring is oriented at dihedral angles of 8.90 (3) and 28.67 (4)° with respect to the two planar quinolyl ring systems. Intra-molecular N-H⋯N hydrogen bonds result in the formation of four planar five-membered rings, two of which are nearly coplanar with the adjacent quinolyl ring systems.

| S-EPMC2960269 | biostudies-literature

2,6-Bis(trifluoro-meth-yl)benzoic acid.

Project description:The title compound, C(9)H(4)F(6)O(2), contains two mol-ecules in the asymmetric unit, one of which exhibits disorder in both of its trifluoro-methyl groups. The dihedral angles between the benzene ring and the carboxyl group are 71.5 (2) and 99.3 (2)° in the two independent mol-ecules. The compound exhibits a catemeric structure resulting from inter-molecular O-H⋯O hydrogen bonding between the carboxyl groups.

| S-EPMC2969748 | biostudies-literature

N,N'-Bis(4-hy-droxy-phen-yl)pyridine-2,6-dicarboxamide di-methyl-formamide monosolvate.

Project description:The mol-ecular structure of the pyridine derivative, C19H15N3O4·C3H7NO, shows almost planar geometry with dihedral angles of 6.9 (1) and 13.4 (1)° between the pyridine ring and the two benzene rings. This conformation is stabilized by two intra-molecular N-H⋯N(pyridine) bonds. In the crystal, strong O-H⋯O(carboxamide) and N-H⋯O(hy-droxy-phen-yl) hydrogen bonds link the mol-ecules, forming a three-dimensional structure. The di-methyl-formamide solvent mol-ecules are not involved in the hydrogen bonding. The structure shows pseudosymmetry, but refinement in the space group Pbcn leads to significantly worse results and a disordered di-methyl-formamide mol-ecule.

| S-EPMC3685123 | biostudies-literature

Bis{2,6-bis-[(2-hy-droxy-5-methyl-phen-yl)imino-meth-yl]pyridine} monohydrate.

Project description:The title compound, 2C(21)H(19)N(3)O(2)·H(2)O, was synthesized by a Schiff base condensation of 2,6-diformyl-pyridine with 2-amino-4-methyl-phenol in ethanol. In the crystal, two mol-ecules of 2,6-bis-[(2-hy-droxy-5-methyl-phen-yl)imino-meth-yl]pyridine dimer-ize via hydrogen bonding to a water mol-ecule, which lies on a twofold axis. There are also intra-molecular phenol-imine hydrogen bonds. The dimers are further linked via π-π (phen-yl-pyridine) [centroid-centroid distance = 3.707 (2) Å] and π-π edge-to-edge [3.392 (2) Å] inter-actions. The dihedral angles between the central ring and the two pendant rings are 11.46 (8) and 2.06 (8)° while the pendant rings make a dihedral angle of 10.14 (8)°.

| S-EPMC3238860 | biostudies-literature

2,6-Bis(bromo-meth-yl)pyridine.

Project description:In the title mol-ecule, C7H7Br2N, the C-Br vectors of the bromo-methyl groups extend to opposite sides of the pyridine ring and are oriented nearly perpendicular to its plane. In the crystal, the mol-ecules related by a c-glide-plane operation are arranged into stacks along the c axis, with centroid-centroid distances between neighboring aromatic rings of 3.778?(2)?Å. A short Br?Br contact of 3.6025?(11)?Å is observed within a pair of inversion-related mol-ecules.

| S-EPMC3914046 | biostudies-literature

N,N'-Bis(4-bromo-phen-yl)pyridine-2,6-dicarboxamide.

Project description:The mol-ecule of the title compound, C19H13Br2N3O2, lies about a twofold rotation axis. The benzene ring makes dihedral angles of 8.9?(2) and 16.4?(2)° with the central pyridine ring and the second benzene ring, respectively. An intra-molecular N-H?N contact occurs. In the crystal, mol-ecules are connected by pairs of N-H?O hydrogen bonds into chains along the c axis.

| S-EPMC3588504 | biostudies-other

Diethyl 2,6-dihy-droxy-4-(3-nitro-phen-yl)-2,6-bis-(trifluoro-meth-yl)piperidine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(19)H(20)F(6)N(2)O(8), the eth-oxy and ethyl groups are disordered over two sets of sites, with occupancy ratios of 0.212?(18):0.788?(18) and 0.746?(6):0.254?(6), respectively. The piperidine ring adopts a chair conformation. In the mol-ecule, intra-molecular O-H?O hydrogen bonds form two S(6) ring motifs. In the crystal, mol-ecules are linked via O-H?O and C-H?O hydrogen bonds, forming dimers.

| S-EPMC3275076 | biostudies-literature

Bis{N(2),N(6)-bis-[(pyridin-3-yl)meth-yl]pyridine-2,6-dicarboxamide-?N}bis-(methanol-?O)bis-(thio-cyanato-?N)cobalt(II).

Project description:In the title compound, [Co(NCS)(2)(C(19)H(17)N(5)O(2))(2)(CH(3)OH)(2)], the Co(II) atom lies on an inversion center and is coordinated by two isothio-cyanate N atoms, two O atoms of methanol mol-ecules and two pyridine N atoms in a slightly distorted octa-hedral environment. Inter-molecular O-H?O and N-H?N hydrogen bonds join the complex mol-ecules into layers parallel to the bc plane.

| S-EPMC3379100 | biostudies-literature

rac-N,N'-Bis(1-ferrocen-yleth-yl)pyridine-2,6-dicarboxamide.

Project description:The title compound, [Fe(2)(C(5)H(5))(2)(C(21)H(21)N(3)O(2))], a potential novel N,N',N''-tridentate ligand with (non-crystallographic) C(2) axial symmetry, adopts a U-shaped molecular conformation.

| S-EPMC2968490 | biostudies-literature

1,1-Bis[4-(trifluoro-meth-yl)phen-yl]germetane.

Project description:The inter-nal C-Ge-C bond angle in the germacyclo-butane ring of the title compound, C(17)H(14)F(6)Ge or [Ge(C(3)H(6))(C(7)H(4)F(3))(2)], is 77.8 (3)°. The -CF(3) groups display rotational disorder [occupancies 0.604 (14):0.396 (14) and 0.410 (6):0.411 (6):0.179 (3)] and the germacyclo-butane ring also shows disorder [occupancies 0.604 (14):0.396 (14)].

| S-EPMC2977636 | 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