Application In Synthesis of 3,5-Dimethyl-4-nitropyridine 1-oxide. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 3,5-Dimethyl-4-nitropyridine 1-oxide, is researched, Molecular C7H8N2O3, CAS is 14248-66-9, about The crystal and molecular structures of 3-methyl-4-nitropyridine N-oxide and 3,5-dimethyl-4-nitropyridine N-oxide. Author is Shiro, Motoo; Yamakawa, Masumi; Kubota, Tanekazu.
The crystal structures of 3-methyl-4-nitropyridine N-oxide (I), tetragonal 3,5-dimethyl-4-nitropyridine N-oxide (II) and orthorhombic 3,5-dimethyl-4-nitropyridine N-oxide (III) determined I is orthorhombic, space group P212121, with a 21.359(2), b 6.111(1), and c 5.132(1) Å; Z = 4. II is tetragonal, space group P41212, with a 7.443(1), and c 13.447(1) Å; Z = 4. III is orthorhombic, space group Pbca, with a 7.329(1), b 14.912(2), and c 13.852(2) Å; Z = 8. The intensity data were collected on a 4-circle diffractometer by use of Zr-filtered Mo Kα radiation. The structures were refined by a block-diagonal least-squares method to R = 0.062 for I (661 reflections), 0.051 for II (472) and 0.085 for III (941). The twist angles of the nitro group out of the mol. plane are 16.7, 49.4 and 51.1.degree., and the N-O distances of the N-oxide group are 1.292 (1.299 after libration corrections), 1.289 (1.293) and 1.302 (1.306) Å, resp. The contribution of the quinoid structure to the resonance forms is significant in the 2 mols., as in 4-nitropyridine N-oxide. The intramol. charge transfer from the N-oxide group O atom to the nitro group plays an important role in stabilizing these mols. in less-twisted conformations than those of their related compounds
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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem