In this article, synthesis of the explosive 2, 6 (diamino) 3, 5 dinitro pyridine (ANPY) of the direct nitration reaction of 2, 6 diamino pyridine in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, then the calculation of the the...

The pyridine rings of the title compound, C(18)H(23)N(3), are in a nearly perpendicular orientation relative to the plane defined by the three amino-bonded C atoms, making dihedral angles of 87.4 (1) ° and 84.2 (1) °. One of the pyridine N atoms acts as an hydrogen-bond acceptor for two pyridine C-H groups. By means of these intermolecular hydrogen bonds, the mol-ecules form a two-dimensional n...

Experiments were carried out to study the effect of acetoacetate admini stration on pyridine nucleotides in liver and blood in male albino rats. Acetoacetate, when administered along with tryptophan (through diet) to tryptophan-niacin-deficient rats for twenty days, resulted in decreased pyridine nucleotide values as compared to the corresponding controls. Prolonged administration of acetoaceta...

In the title compound, C(16)H(10)N(4)O(4), the two pyridine rings are twisted by 44.41 (2)° and the ester groups form dihedral angles of 48.77 (4) and 45.75 (2)° with the corresponding pyridine rings. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds and π-π stacking inter-actions between the pyridine rings [centroid-to-centroid distance 3.797 (2) Å].

In the title compound, C(28)H(32)N(2)O(7), the 1,4-dihydro-pyridine ring adopts a flattened boat conformation. The two benzene rings are approximately perpendicular to the dihydro-pyridine ring, forming dihedral angles of 84.29 (9) and 82.96 (9)° with the mean plane of the 1,4-dihydro-pyridine unit, whereas the ester groups are only slightly twisted relative to this plane, with dihedral angles ...

Density functional theory based calculations have been carried out to systematically investigate the structural and optoelectronic properties of pyridine-furan, pyridine-pyrrole and pyridine-thiophene oligomers. Comparison of results obtained at B3LYP/6-31G(d) and B3LYP-D3/6-31G(d) levels of theories reveals that the inclusion of dispersion correction with the B3LYP functional has a major impac...