Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-(Pyridine-2,6-di-yl)dibenzamide.

ABSTRACT: The mol-ecule of the title compound, C19H15N3O2, is completed by the application of crystallographic twofold symmetry, with the pyridine N atom lying on the rotation axis. The mol-ecular structure is approximately planar, the dihedral angle between the mean planes of the pyridine and benzene rings being 7.53?(11)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into a two-dimensional array perpendicular to the c axis.

SUBMITTER: Mahboubi Anarjan P

PROVIDER: S-EPMC3588231 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-(Pyridine-2,6-di-yl)dibenzamide.

Mahboubi Anarjan Parisa P Noshiranzadeh Nader N Bikas Rahman R Woińska Magdalena M Wozniak Krzysztof K

Acta crystallographica. Section E, Structure reports online 20121219 Pt 1

The mol-ecule of the title compound, C19H15N3O2, is completed by the application of crystallographic twofold symmetry, with the pyridine N atom lying on the rotation axis. The mol-ecular structure is approximately planar, the dihedral angle between the mean planes of the pyridine and benzene rings being 7.53 (11)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional array perpendicular to the c axis. ...[more]

PMID: 23476365

Similar Datasets

6,6'-(Pyridine-2,6-di-yl)bis-(pyrrolo-[3,4-b]pyridine-5,7-dione).

Project description:The title compound, C(19)H(9)N(5)O(4), has crystallographically imposed twofold rotational symmetry. The asymmetric unit contains one half-mol-ecule. The crystal structure is stabilized by ?-? stacking of inversion-related pyrrolo-[3,4-b]pyridine rings, with a centroid-centroid distance between stacked pyridines of 3.6960?(8)?Å. The dihedral angle between the central pyridine ring and the pyrrolo-pyridine side rings is 77.86?(2)° while the angle between the two side chains is 60.87?(2)°.

| S-EPMC3247514 | biostudies-literature

1,1'-[4-(2,4-Dichloro-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-yl]diethanone.

Project description:In the title compound, C(17)H(17)Cl(2)NO(2), the central 1,4-dihydro-pyridine ring adopts a flattened-boat conformation. The ethanone substituents of the dihydro-pyridine ring at positions 3 and 5 have synperiplanar (cis) or anti-periplanar (trans) conformations with respect to the adjacent C=C bonds in the dihydro-pyridine ring. The 2,4-dichloro-phenyl ring is almost planar [r.m.s. deviation = 0.0045?(1)?Å] and almost perpendicular [89.27?(3)°] to the mean plane of the dihydro-pyridine ring. In the crystal, an N-H?O hydrogen bond links mol-ecules into a zigzag chain along the ac diagonal. C-H?Cl contacts form centrosymmetric dimers and additional weak C-H?O contacts further consolidate the packing.

| S-EPMC3051630 | biostudies-literature

Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-di-hydro-pyridine-3,5-di-carboxyl-ate.

Project description:The title compound, C25H27NO4, has a flattened di-hydro-pyridine ring. The benzene and phenyl rings are synclinal to one another, forming a dihedral angle of 49.82?(8)°; the axis of the biphenyl rings makes an 81.05?(9)° angle to the plane of the di-hydro-pyridine ring. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chain motifs running along the a-axis direction. The chains are cross-linked by C-H?O inter-actions, forming sheet motifs running slightly off the (110) plane, together with an intermolecular interaction between head-to tail biphenyl groups, thus making the whole crystal packing a three-dimensional network. Intra-molecular C-H?O hydrogen bonds are also observed.

| S-EPMC4120632 | biostudies-literature

Diethyl 4-(2-meth-oxy-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-carboxyl-ate.

Project description:In the title compound, C20H25NO5, the di-hydro-pyridine ring adopts a flattened boat conformation. The meth-oxy-phenyl ring is almost perpendicular to the mean plane of the pyridine ring [dihedral angle = 88.42?(3)°]. The two carbonyl units adopt a synperiplanar conformation with respect to the double bonds in the di-hydro-pyridine ring. In the crystal, mol-ecules are connected by N-H?O hydrogen bonds into R 4 (4)(24) tetra-meric rings. A region of disordered electron density, located at the center of four adjacent mol-ecules, was treated with the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. It is probably the result of traces of the solvent of crystallization and was not taken into account during the structure refinement.

| S-EPMC3648309 | biostudies-literature

Chlorido[3,3'-dibutyl-5,5'-(pyridine-2,6-di-yl)dipyrazol-1-ido]gold(III).

Project description:The Au atom in the C2-symmetric pincer-type title complex, [AuCl(C(19)H(23)N(5))], is in the +3 oxidation state. The ligand is composed of one pyridine unit and two n-butyl-substituted pyrazoles (pyrz). Both pyrazoles are deprotonated, thus forming a neutral compound. To the best of our knowledge, this is the first Au(III)-bis-pyrazolate complex. According to the special geometry in the N,N',N''-tridentate ligand, containing two five-membered heterocycles, the complex deviates from an ideal square-planar coordination geometry; the N(pyrz)-Au-N(pyrz) angle is 160.8 (3)°, indicating a distortion of nearly 20°.

| S-EPMC2980159 | biostudies-literature

2,6-Di-amino-4-(4-chloro-phen-yl)-1-methyl-1,4-di-hydro-pyridine-3,5-dicarbo-nitrile.

Project description:In the title compound, C14H12ClN5, the di-hydro-pyridine ring adopts a shallow boat conformation. The dihedral angle between the plane of this ring and that of the chloro-benzene ring is 69.15?(15)°. In the crystal, mol-ecules are linked by N-H?N and N-H?Cl hydrogen bonds, generating (001) sheets.

| S-EPMC4120602 | biostudies-literature

2,6-Bis[(4R,5R)-4,5-diphenyl-4,5-di-hydro-1,3-oxazol-2-yl]pyridine.

Project description:The mol-ecule of the title compound, C(35)H(27)N(3)O(2), lies on a twofold rotation axis passing through the pyridine ring. The five-membered ring is approximately flat (r.m.s. deviation = 0.065?Å) and is essentially coplanar [dihedral angle = 4.2?(2)°] with the pyridine ring.

| S-EPMC3120343 | 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

2,6-Bis(tosyl-oxymeth-yl)pyridine.

Project description:The title compound, C(21)H(21)NO(6)S(2), is organized around a twofold axis parallel to the crystallographic c axis and containing the N atom and a C atom of the pyridine ring. The tosyl moiety and the pyridine ring are both essentially planar [maximum deviations 0.028 (2) and 0.020 (3) Å, respectively]; their mean planes form a dihedral angle of 33.0 (2)°.

| S-EPMC3051709 | biostudies-literature

4,4'-({[(Pyridine-2,6-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-(methyl-ene))dibenzo-nitrile.

Project description:The complete title molecule, C23H19N3O2, is generated by a twofold axis passing through the central ring. The two oxymethyl-benzo-nitrile arms are attached at the meta positions of the central pyridine ring. The dihedral angle between the pyridine ring and benzene ring of both arms is 84.55 (6)° while the benzene rings make a dihedral angle of 46.07 (7)°. In the crystal, weak C-H⋯π inter-actions link the molecules sheets parallel to the ac plane.

| S-EPMC3998298 | 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